nwchem-data (7.3.1-1)
Details
Core information at a glance
- Distribution
- kali
- Origin
- kali-last-snapshot
- Repository
- https://http.kali.org/kali
- Codename
- kali-last-snapshot
- Component
- main
- Source
- nwchem
- Architecture
- i386
- Section
- science
- Priority
- optional
- Maintainer
- Debichem Team <[email protected]>
Size & integrity
Byte sizes and integrity verification
- Installed size
- 47.8 kB
- Size expected
- 6.1 MB
- Size actual
- 6.1 MB
- Size match
Dependencies
Required package dependencies
- None
Suggested packages
Recommended additional packages
- None
Description
High-performance computational chemistry software (data files)
Tags
Package classification tags
role::app-data
Checksums
Hash values and integrity verification status
| Type | Actual | Match |
|---|---|---|
| MD5 | a5ce294f…4032f843 | |
| SHA-1 | 8a1823e7…be0d6af3 | |
| SHA-256 | a52a7c2f…6802c58e | |
| SHA-512 | 416e8987…4f6e23f0 |
Contents
Files and directories included
. usr usr/share usr/share/doc usr/share/doc/nwchem-data usr/share/doc/nwchem-data/changelog.Debian.gz usr/share/doc/nwchem-data/copyright usr/share/lintian usr/share/lintian/overrides usr/share/lintian/overrides/nwchem-data usr/share/man usr/share/man/man1 usr/share/man/man1/nwchem.1.gz usr/share/nwchem usr/share/nwchem/amber_q usr/share/nwchem/amber_q/ABE.frg usr/share/nwchem/amber_q/BNZ.frg usr/share/nwchem/amber_q/BTH.frg usr/share/nwchem/amber_q/BTH.sgm usr/share/nwchem/amber_q/BTO.frg usr/share/nwchem/amber_q/BTO.sgm usr/share/nwchem/amber_q/BUT.frg usr/share/nwchem/amber_q/BUT.sgm usr/share/nwchem/amber_q/CA.frg usr/share/nwchem/amber_q/CTR.frg usr/share/nwchem/amber_q/Ca.sgm usr/share/nwchem/amber_q/DTT.frg usr/share/nwchem/amber_q/EAM.frg usr/share/nwchem/amber_q/FUC.sgm usr/share/nwchem/amber_q/G31.frg usr/share/nwchem/amber_q/G61.frg usr/share/nwchem/amber_q/G64.frg usr/share/nwchem/amber_q/GA1.frg usr/share/nwchem/amber_q/GA2.frg usr/share/nwchem/amber_q/GA3.frg usr/share/nwchem/amber_q/GA3.sgm usr/share/nwchem/amber_q/GAL.frg usr/share/nwchem/amber_q/GAO.frg usr/share/nwchem/amber_q/GC1.frg usr/share/nwchem/amber_q/GC2.frg usr/share/nwchem/amber_q/GC2.sgm usr/share/nwchem/amber_q/GC3.sgm usr/share/nwchem/amber_q/GCN.frg usr/share/nwchem/amber_q/GDP.frg usr/share/nwchem/amber_q/GL1.frg usr/share/nwchem/amber_q/GL2.frg usr/share/nwchem/amber_q/GL3.frg usr/share/nwchem/amber_q/GL4.frg usr/share/nwchem/amber_q/GL4.sgm usr/share/nwchem/amber_q/GL5.frg usr/share/nwchem/amber_q/GL5.sgm usr/share/nwchem/amber_q/GL6.frg usr/share/nwchem/amber_q/GL6.sgm usr/share/nwchem/amber_q/GL7.frg usr/share/nwchem/amber_q/GL7.sgm usr/share/nwchem/amber_q/GL8.sgm usr/share/nwchem/amber_q/GLT.sgm usr/share/nwchem/amber_q/GNP.frg usr/share/nwchem/amber_q/GTL.sgm usr/share/nwchem/amber_q/GTP.frg usr/share/nwchem/amber_q/HDH.frg usr/share/nwchem/amber_q/HDH.sgm usr/share/nwchem/amber_q/HDO.frg usr/share/nwchem/amber_q/HDO.sgm usr/share/nwchem/amber_q/HED.sgm usr/share/nwchem/amber_q/HEM.frg usr/share/nwchem/amber_q/HEP.frg usr/share/nwchem/amber_q/HEP.sgm usr/share/nwchem/amber_q/HP1.frg usr/share/nwchem/amber_q/HP2.frg usr/share/nwchem/amber_q/HP3.frg usr/share/nwchem/amber_q/HP4.frg usr/share/nwchem/amber_q/HP4.sgm usr/share/nwchem/amber_q/HP5.frg usr/share/nwchem/amber_q/HP5.sgm usr/share/nwchem/amber_q/HPD.frg usr/share/nwchem/amber_q/HXO.frg usr/share/nwchem/amber_q/IPS.frg usr/share/nwchem/amber_q/KD1.frg usr/share/nwchem/amber_q/KD2.frg usr/share/nwchem/amber_q/KD3.frg usr/share/nwchem/amber_q/KD4.frg usr/share/nwchem/amber_q/KD4.sgm usr/share/nwchem/amber_q/KD5.frg usr/share/nwchem/amber_q/KD5.sgm usr/share/nwchem/amber_q/KDN.frg usr/share/nwchem/amber_q/LCX.frg usr/share/nwchem/amber_q/LPO.sgm usr/share/nwchem/amber_q/MA2.sgm usr/share/nwchem/amber_q/MA3.sgm usr/share/nwchem/amber_q/MA4.sgm usr/share/nwchem/amber_q/MAN.frg usr/share/nwchem/amber_q/NH4.frg usr/share/nwchem/amber_q/NTR.frg usr/share/nwchem/amber_q/Na.sgm usr/share/nwchem/amber_q/O4P.frg usr/share/nwchem/amber_q/PET.frg usr/share/nwchem/amber_q/PET.sgm usr/share/nwchem/amber_q/PNT.frg usr/share/nwchem/amber_q/PO4.frg usr/share/nwchem/amber_q/PO4.sgm usr/share/nwchem/amber_q/PPO.frg usr/share/nwchem/amber_q/RH2.frg usr/share/nwchem/amber_q/RH2.sgm usr/share/nwchem/amber_q/RH3.sgm usr/share/nwchem/amber_q/RHA.frg usr/share/nwchem/amber_q/SEP.frg usr/share/nwchem/amber_q/SO4.frg usr/share/nwchem/amber_q/TPO.frg usr/share/nwchem/amber_q/amber.par usr/share/nwchem/amber_q/coc.frg usr/share/nwchem/amber_q/etl.frg usr/share/nwchem/amber_q/ions.par usr/share/nwchem/amber_q/lps_Pa usr/share/nwchem/amber_q/lps_Pa/BTH.frg usr/share/nwchem/amber_q/lps_Pa/BTH.sgm usr/share/nwchem/amber_q/lps_Pa/BTO.frg usr/share/nwchem/amber_q/lps_Pa/BTO.sgm usr/share/nwchem/amber_q/lps_Pa/BUT.frg usr/share/nwchem/amber_q/lps_Pa/BUT.sgm usr/share/nwchem/amber_q/lps_Pa/GA3.frg usr/share/nwchem/amber_q/lps_Pa/GA3.sgm usr/share/nwchem/amber_q/lps_Pa/GC3.sgm usr/share/nwchem/amber_q/lps_Pa/GL4.frg usr/share/nwchem/amber_q/lps_Pa/GL4.sgm usr/share/nwchem/amber_q/lps_Pa/GL5.frg usr/share/nwchem/amber_q/lps_Pa/GL5.sgm usr/share/nwchem/amber_q/lps_Pa/GL6.frg usr/share/nwchem/amber_q/lps_Pa/GL6.sgm usr/share/nwchem/amber_q/lps_Pa/GL7.frg usr/share/nwchem/amber_q/lps_Pa/GL7.sgm usr/share/nwchem/amber_q/lps_Pa/HDH.frg usr/share/nwchem/amber_q/lps_Pa/HDH.sgm usr/share/nwchem/amber_q/lps_Pa/HDO.frg usr/share/nwchem/amber_q/lps_Pa/HDO.sgm usr/share/nwchem/amber_q/lps_Pa/HEP.frg usr/share/nwchem/amber_q/lps_Pa/HEP.sgm usr/share/nwchem/amber_q/lps_Pa/HP4.frg usr/share/nwchem/amber_q/lps_Pa/HP4.sgm usr/share/nwchem/amber_q/lps_Pa/HP5.frg usr/share/nwchem/amber_q/lps_Pa/HP5.sgm usr/share/nwchem/amber_q/lps_Pa/KD4.frg usr/share/nwchem/amber_q/lps_Pa/KD4.sgm usr/share/nwchem/amber_q/lps_Pa/KD5.frg usr/share/nwchem/amber_q/lps_Pa/KD5.sgm usr/share/nwchem/amber_q/lps_Pa/PET.frg usr/share/nwchem/amber_q/lps_Pa/PET.sgm usr/share/nwchem/amber_q/lps_Pa/PO4.frg usr/share/nwchem/amber_q/lps_Pa/PO4.sgm usr/share/nwchem/amber_q/lps_Pa/RH2.frg usr/share/nwchem/amber_q/lps_Pa/RH2.sgm usr/share/nwchem/amber_q/lps_ec usr/share/nwchem/amber_q/lps_ec/BU1.frg usr/share/nwchem/amber_q/lps_ec/BU2.frg usr/share/nwchem/amber_q/lps_ec/GA1.frg usr/share/nwchem/amber_q/lps_ec/GL1.frg usr/share/nwchem/amber_q/lps_ec/GL2.frg usr/share/nwchem/amber_q/lps_ec/GL3.frg usr/share/nwchem/amber_q/lps_ec/GN1.frg usr/share/nwchem/amber_q/lps_ec/GN2.frg usr/share/nwchem/amber_q/lps_ec/HE1.frg usr/share/nwchem/amber_q/lps_ec/HE2.frg usr/share/nwchem/amber_q/lps_ec/HE3.frg usr/share/nwchem/amber_q/lps_ec/HE4.frg usr/share/nwchem/amber_q/lps_ec/KD1.frg usr/share/nwchem/amber_q/lps_ec/KD2.frg usr/share/nwchem/amber_q/lps_ec/PO4.frg usr/share/nwchem/amber_q/lps_ec/POC.frg usr/share/nwchem/amber_q/lps_ec/POH.frg usr/share/nwchem/amber_q/lps_ec/PT1.frg usr/share/nwchem/amber_q/lps_ec/PT2.frg usr/share/nwchem/amber_s usr/share/nwchem/amber_s/ACE.frg usr/share/nwchem/amber_s/ACE_N.sgm usr/share/nwchem/amber_s/ALA.frg usr/share/nwchem/amber_s/ALA.sgm usr/share/nwchem/amber_s/ALA_C.frg usr/share/nwchem/amber_s/ALA_C.sgm usr/share/nwchem/amber_s/ALA_N.frg usr/share/nwchem/amber_s/ALA_N.sgm usr/share/nwchem/amber_s/ARG.frg usr/share/nwchem/amber_s/ARG.sgm usr/share/nwchem/amber_s/ARG_C.frg usr/share/nwchem/amber_s/ARG_C.sgm usr/share/nwchem/amber_s/ARG_N.frg usr/share/nwchem/amber_s/ARG_N.sgm usr/share/nwchem/amber_s/ASH.frg usr/share/nwchem/amber_s/ASH.sgm usr/share/nwchem/amber_s/ASN.frg usr/share/nwchem/amber_s/ASN.sgm usr/share/nwchem/amber_s/ASN_C.frg usr/share/nwchem/amber_s/ASN_C.sgm usr/share/nwchem/amber_s/ASN_N.frg usr/share/nwchem/amber_s/ASN_N.sgm usr/share/nwchem/amber_s/ASP.frg usr/share/nwchem/amber_s/ASP.sgm usr/share/nwchem/amber_s/ASP_C.frg usr/share/nwchem/amber_s/ASP_C.sgm usr/share/nwchem/amber_s/ASP_N.frg usr/share/nwchem/amber_s/ASP_N.sgm usr/share/nwchem/amber_s/CYM.frg usr/share/nwchem/amber_s/CYS.frg usr/share/nwchem/amber_s/CYS.sgm usr/share/nwchem/amber_s/CYS_C.frg usr/share/nwchem/amber_s/CYS_C.sgm usr/share/nwchem/amber_s/CYS_N.frg usr/share/nwchem/amber_s/CYS_N.sgm usr/share/nwchem/amber_s/CYX.frg usr/share/nwchem/amber_s/CYX.sgm usr/share/nwchem/amber_s/CYX1.sgm usr/share/nwchem/amber_s/CYX2.sgm usr/share/nwchem/amber_s/CYX_C.frg usr/share/nwchem/amber_s/CYX_C.sgm usr/share/nwchem/amber_s/CYX_N.frg usr/share/nwchem/amber_s/Cl.frg usr/share/nwchem/amber_s/Cl.sgm usr/share/nwchem/amber_s/DA.frg usr/share/nwchem/amber_s/DA_3.frg usr/share/nwchem/amber_s/DA_5.frg usr/share/nwchem/amber_s/DA_M.frg usr/share/nwchem/amber_s/DC.frg usr/share/nwchem/amber_s/DC_3.frg usr/share/nwchem/amber_s/DC_5.frg usr/share/nwchem/amber_s/DC_M.frg usr/share/nwchem/amber_s/DG.frg usr/share/nwchem/amber_s/DG_3.frg usr/share/nwchem/amber_s/DG_5.frg usr/share/nwchem/amber_s/DG_M.frg usr/share/nwchem/amber_s/DT.frg usr/share/nwchem/amber_s/DT_3.frg usr/share/nwchem/amber_s/DT_5.frg usr/share/nwchem/amber_s/DT_M.frg usr/share/nwchem/amber_s/FE.frg usr/share/nwchem/amber_s/GLH.frg usr/share/nwchem/amber_s/GLH.sgm usr/share/nwchem/amber_s/GLN.frg usr/share/nwchem/amber_s/GLN.sgm usr/share/nwchem/amber_s/GLN_C.frg usr/share/nwchem/amber_s/GLN_C.sgm usr/share/nwchem/amber_s/GLN_N.frg usr/share/nwchem/amber_s/GLN_N.sgm usr/share/nwchem/amber_s/GLU.frg usr/share/nwchem/amber_s/GLU.sgm usr/share/nwchem/amber_s/GLU_C.frg usr/share/nwchem/amber_s/GLU_C.sgm usr/share/nwchem/amber_s/GLU_N.frg usr/share/nwchem/amber_s/GLU_N.sgm usr/share/nwchem/amber_s/GLY.frg usr/share/nwchem/amber_s/GLY.sgm usr/share/nwchem/amber_s/GLY_C.frg usr/share/nwchem/amber_s/GLY_C.sgm usr/share/nwchem/amber_s/GLY_N.frg usr/share/nwchem/amber_s/GLY_N.sgm usr/share/nwchem/amber_s/HID.frg usr/share/nwchem/amber_s/HID.sgm usr/share/nwchem/amber_s/HID_C.frg usr/share/nwchem/amber_s/HID_C.sgm usr/share/nwchem/amber_s/HID_N.frg usr/share/nwchem/amber_s/HID_N.sgm usr/share/nwchem/amber_s/HIE.frg usr/share/nwchem/amber_s/HIE.sgm usr/share/nwchem/amber_s/HIE_C.frg usr/share/nwchem/amber_s/HIE_C.sgm usr/share/nwchem/amber_s/HIE_N.frg usr/share/nwchem/amber_s/HIE_N.sgm usr/share/nwchem/amber_s/HIP.frg usr/share/nwchem/amber_s/HIP.sgm usr/share/nwchem/amber_s/HIP_C.frg usr/share/nwchem/amber_s/HIP_C.sgm usr/share/nwchem/amber_s/HIP_N.frg usr/share/nwchem/amber_s/HIP_N.sgm usr/share/nwchem/amber_s/HOH.frg usr/share/nwchem/amber_s/ILE.frg usr/share/nwchem/amber_s/ILE.sgm usr/share/nwchem/amber_s/ILE_C.frg usr/share/nwchem/amber_s/ILE_C.sgm usr/share/nwchem/amber_s/ILE_N.frg usr/share/nwchem/amber_s/ILE_N.sgm usr/share/nwchem/amber_s/IM.frg usr/share/nwchem/amber_s/IM.sgm usr/share/nwchem/amber_s/IP.frg usr/share/nwchem/amber_s/K.frg usr/share/nwchem/amber_s/K.sgm usr/share/nwchem/amber_s/LEU.frg usr/share/nwchem/amber_s/LEU.sgm usr/share/nwchem/amber_s/LEU_C.frg usr/share/nwchem/amber_s/LEU_C.sgm usr/share/nwchem/amber_s/LEU_N.frg usr/share/nwchem/amber_s/LEU_N.sgm usr/share/nwchem/amber_s/LYN.frg usr/share/nwchem/amber_s/LYS.frg usr/share/nwchem/amber_s/LYS.sgm usr/share/nwchem/amber_s/LYS_C.frg usr/share/nwchem/amber_s/LYS_C.sgm usr/share/nwchem/amber_s/LYS_N.frg usr/share/nwchem/amber_s/LYS_N.sgm usr/share/nwchem/amber_s/Li.frg usr/share/nwchem/amber_s/MET.frg usr/share/nwchem/amber_s/MET.sgm usr/share/nwchem/amber_s/MET_C.frg usr/share/nwchem/amber_s/MET_C.sgm usr/share/nwchem/amber_s/MET_N.frg usr/share/nwchem/amber_s/MET_N.sgm usr/share/nwchem/amber_s/MG.frg usr/share/nwchem/amber_s/NME.frg usr/share/nwchem/amber_s/NME_C.sgm usr/share/nwchem/amber_s/Na.frg usr/share/nwchem/amber_s/Na.sgm usr/share/nwchem/amber_s/PHE.frg usr/share/nwchem/amber_s/PHE.sgm usr/share/nwchem/amber_s/PHE_C.frg usr/share/nwchem/amber_s/PHE_C.sgm usr/share/nwchem/amber_s/PHE_N.frg usr/share/nwchem/amber_s/PHE_N.sgm usr/share/nwchem/amber_s/PRO.frg usr/share/nwchem/amber_s/PRO.sgm usr/share/nwchem/amber_s/PRO_C.frg usr/share/nwchem/amber_s/PRO_C.sgm usr/share/nwchem/amber_s/PRO_N.frg usr/share/nwchem/amber_s/PRO_N.sgm usr/share/nwchem/amber_s/RA.frg usr/share/nwchem/amber_s/RA_3.frg usr/share/nwchem/amber_s/RA_5.frg usr/share/nwchem/amber_s/RA_M.frg usr/share/nwchem/amber_s/RC.frg usr/share/nwchem/amber_s/RC_3.frg usr/share/nwchem/amber_s/RC_5.frg usr/share/nwchem/amber_s/RC_M.frg usr/share/nwchem/amber_s/RG.frg usr/share/nwchem/amber_s/RG_3.frg usr/share/nwchem/amber_s/RG_5.frg usr/share/nwchem/amber_s/RG_M.frg usr/share/nwchem/amber_s/RU.frg usr/share/nwchem/amber_s/RU_3.frg usr/share/nwchem/amber_s/RU_5.frg usr/share/nwchem/amber_s/RU_M.frg usr/share/nwchem/amber_s/SER.frg usr/share/nwchem/amber_s/SER.sgm usr/share/nwchem/amber_s/SER_C.frg usr/share/nwchem/amber_s/SER_C.sgm usr/share/nwchem/amber_s/SER_N.frg usr/share/nwchem/amber_s/SER_N.sgm usr/share/nwchem/amber_s/SPC_M.sgm usr/share/nwchem/amber_s/THR.frg usr/share/nwchem/amber_s/THR.sgm usr/share/nwchem/amber_s/THR_C.frg usr/share/nwchem/amber_s/THR_C.sgm usr/share/nwchem/amber_s/THR_N.frg usr/share/nwchem/amber_s/THR_N.sgm usr/share/nwchem/amber_s/TRP.frg usr/share/nwchem/amber_s/TRP.sgm usr/share/nwchem/amber_s/TRP_C.frg usr/share/nwchem/amber_s/TRP_C.sgm usr/share/nwchem/amber_s/TRP_N.frg usr/share/nwchem/amber_s/TRP_N.sgm usr/share/nwchem/amber_s/TYR.frg usr/share/nwchem/amber_s/TYR.sgm usr/share/nwchem/amber_s/TYR_C.frg usr/share/nwchem/amber_s/TYR_C.sgm usr/share/nwchem/amber_s/TYR_N.frg usr/share/nwchem/amber_s/TYR_N.sgm usr/share/nwchem/amber_s/VAL.frg usr/share/nwchem/amber_s/VAL.sgm usr/share/nwchem/amber_s/VAL_C.frg usr/share/nwchem/amber_s/VAL_C.sgm usr/share/nwchem/amber_s/VAL_N.frg usr/share/nwchem/amber_s/VAL_N.sgm usr/share/nwchem/amber_s/ZN.frg usr/share/nwchem/amber_s/amber.par usr/share/nwchem/amber_s/amber95.par usr/share/nwchem/amber_t usr/share/nwchem/amber_t/amber.par usr/share/nwchem/amber_u usr/share/nwchem/amber_u/CTT.frg usr/share/nwchem/amber_u/amber.par usr/share/nwchem/amber_x usr/share/nwchem/amber_x/amber.par usr/share/nwchem/amber_x/clfm.sgm usr/share/nwchem/amber_x/glycam.par usr/share/nwchem/amber_x/meoh.sgm usr/share/nwchem/amber_x/spce.sgm usr/share/nwchem/amber_x/thfs.sgm usr/share/nwchem/charmm_s usr/share/nwchem/charmm_s/ALA.frg usr/share/nwchem/charmm_s/ALA_C.frg usr/share/nwchem/charmm_s/ALA_N.frg usr/share/nwchem/charmm_s/ARG.frg usr/share/nwchem/charmm_s/ARG_C.frg usr/share/nwchem/charmm_s/ARG_N.frg usr/share/nwchem/charmm_s/ASN.frg usr/share/nwchem/charmm_s/ASN_C.frg usr/share/nwchem/charmm_s/ASN_N.frg usr/share/nwchem/charmm_s/ASP.frg usr/share/nwchem/charmm_s/ASP_C.frg usr/share/nwchem/charmm_s/ASP_N.frg usr/share/nwchem/charmm_s/CO.frg usr/share/nwchem/charmm_s/CYS.frg usr/share/nwchem/charmm_s/CYS_C.frg usr/share/nwchem/charmm_s/CYS_N.frg usr/share/nwchem/charmm_s/CYX.frg usr/share/nwchem/charmm_s/CYX_C.frg usr/share/nwchem/charmm_s/CYX_N.frg usr/share/nwchem/charmm_s/DUM.frg usr/share/nwchem/charmm_s/GLN.frg usr/share/nwchem/charmm_s/GLN_C.frg usr/share/nwchem/charmm_s/GLN_N.frg usr/share/nwchem/charmm_s/GLU.frg usr/share/nwchem/charmm_s/GLU_C.frg usr/share/nwchem/charmm_s/GLU_N.frg usr/share/nwchem/charmm_s/GLY.frg usr/share/nwchem/charmm_s/GLY_C.frg usr/share/nwchem/charmm_s/GLY_N.frg usr/share/nwchem/charmm_s/HEME.frg usr/share/nwchem/charmm_s/HSD.frg usr/share/nwchem/charmm_s/HSD_C.frg usr/share/nwchem/charmm_s/HSD_N.frg usr/share/nwchem/charmm_s/HSE.frg usr/share/nwchem/charmm_s/HSE_C.frg usr/share/nwchem/charmm_s/HSE_N.frg usr/share/nwchem/charmm_s/HSP.frg usr/share/nwchem/charmm_s/HSP_C.frg usr/share/nwchem/charmm_s/HSP_N.frg usr/share/nwchem/charmm_s/ILE.frg usr/share/nwchem/charmm_s/ILE_C.frg usr/share/nwchem/charmm_s/ILE_N.frg usr/share/nwchem/charmm_s/LEU.frg usr/share/nwchem/charmm_s/LEU_C.frg usr/share/nwchem/charmm_s/LEU_N.frg usr/share/nwchem/charmm_s/LYS.frg usr/share/nwchem/charmm_s/LYS_C.frg usr/share/nwchem/charmm_s/LYS_N.frg usr/share/nwchem/charmm_s/MET.frg usr/share/nwchem/charmm_s/MET_C.frg usr/share/nwchem/charmm_s/MET_N.frg usr/share/nwchem/charmm_s/O2.frg usr/share/nwchem/charmm_s/PHE.frg usr/share/nwchem/charmm_s/PHE_C.frg usr/share/nwchem/charmm_s/PHE_N.frg usr/share/nwchem/charmm_s/PRO.frg usr/share/nwchem/charmm_s/PRO_C.frg usr/share/nwchem/charmm_s/PRO_N.frg usr/share/nwchem/charmm_s/SER.frg usr/share/nwchem/charmm_s/SER_C.frg usr/share/nwchem/charmm_s/SER_N.frg usr/share/nwchem/charmm_s/THR.frg usr/share/nwchem/charmm_s/THR_C.frg usr/share/nwchem/charmm_s/THR_N.frg usr/share/nwchem/charmm_s/TIP3.frg usr/share/nwchem/charmm_s/TP3M.frg usr/share/nwchem/charmm_s/TRP.frg usr/share/nwchem/charmm_s/TRP_C.frg usr/share/nwchem/charmm_s/TRP_N.frg usr/share/nwchem/charmm_s/TYR.frg usr/share/nwchem/charmm_s/TYR_C.frg usr/share/nwchem/charmm_s/TYR_N.frg usr/share/nwchem/charmm_s/VAL.frg usr/share/nwchem/charmm_s/VAL_C.frg usr/share/nwchem/charmm_s/VAL_N.frg usr/share/nwchem/charmm_s/ZN2.frg usr/share/nwchem/charmm_s/charmm.par usr/share/nwchem/charmm_s/par_all27_na_lipid.par usr/share/nwchem/charmm_s/par_all27_prot_lipid.par usr/share/nwchem/charmm_s/par_all27_prot_na.par usr/share/nwchem/charmm_s/par_all32_lipid.par usr/share/nwchem/charmm_s/par_all35_ethers.par usr/share/nwchem/charmm_x usr/share/nwchem/charmm_x/GLU_C.frg usr/share/nwchem/charmm_x/MET_N.frg usr/share/nwchem/charmm_x/Na.frg usr/share/nwchem/charmm_x/Na_M.frg usr/share/nwchem/charmm_x/spce.sgm usr/share/nwchem/charmm_x/spce_M.sgm usr/share/nwchem/libraries usr/share/nwchem/libraries/2zapa-nr usr/share/nwchem/libraries/2zapa-nr_cv usr/share/nwchem/libraries/3-21++g usr/share/nwchem/libraries/3-21++gs usr/share/nwchem/libraries/3-21g usr/share/nwchem/libraries/3-21gs usr/share/nwchem/libraries/3-21gs_polarization usr/share/nwchem/libraries/3-21gsp usr/share/nwchem/libraries/3zapa-nr usr/share/nwchem/libraries/3zapa-nr_cv usr/share/nwchem/libraries/4-22gsp usr/share/nwchem/libraries/4-31g usr/share/nwchem/libraries/4zapa-nr usr/share/nwchem/libraries/4zapa-nr_cv usr/share/nwchem/libraries/5zapa-nr usr/share/nwchem/libraries/5zapa-nr_cv usr/share/nwchem/libraries/5zp usr/share/nwchem/libraries/5zp-dkh usr/share/nwchem/libraries/6-31++g usr/share/nwchem/libraries/6-31++gs usr/share/nwchem/libraries/6-31++gss usr/share/nwchem/libraries/6-31++gss-j usr/share/nwchem/libraries/6-31+g usr/share/nwchem/libraries/6-31+gs usr/share/nwchem/libraries/6-31+gs-j usr/share/nwchem/libraries/6-31+gss usr/share/nwchem/libraries/6-311++g usr/share/nwchem/libraries/6-311++g2d_2p usr/share/nwchem/libraries/6-311++g3df_3pd usr/share/nwchem/libraries/6-311++gs usr/share/nwchem/libraries/6-311++gss usr/share/nwchem/libraries/6-311++gss-j usr/share/nwchem/libraries/6-311+g usr/share/nwchem/libraries/6-311+g2d_p usr/share/nwchem/libraries/6-311+gs usr/share/nwchem/libraries/6-311+gs-j usr/share/nwchem/libraries/6-311+gss usr/share/nwchem/libraries/6-311g usr/share/nwchem/libraries/6-311g-j usr/share/nwchem/libraries/6-311g2df_2pd usr/share/nwchem/libraries/6-311gs usr/share/nwchem/libraries/6-311gs_polarization usr/share/nwchem/libraries/6-311gss usr/share/nwchem/libraries/6-311gss_polarization usr/share/nwchem/libraries/6-31g usr/share/nwchem/libraries/6-31g-blaudeau usr/share/nwchem/libraries/6-31g-j usr/share/nwchem/libraries/6-31g2df_p usr/share/nwchem/libraries/6-31g3df_3pd usr/share/nwchem/libraries/6-31gs usr/share/nwchem/libraries/6-31gs-blaudeau usr/share/nwchem/libraries/6-31gs_polarization usr/share/nwchem/libraries/6-31gss usr/share/nwchem/libraries/6-31gss_polarization usr/share/nwchem/libraries/6zapa-nr usr/share/nwchem/libraries/6zp usr/share/nwchem/libraries/6zp-dkh usr/share/nwchem/libraries/7zapa-nr usr/share/nwchem/libraries/a5zp usr/share/nwchem/libraries/adzp usr/share/nwchem/libraries/ahlrichs_coulomb_fitting usr/share/nwchem/libraries/ahlrichs_polarization usr/share/nwchem/libraries/ahlrichs_pvdz usr/share/nwchem/libraries/ahlrichs_tzv usr/share/nwchem/libraries/ahlrichs_vdz usr/share/nwchem/libraries/ahlrichs_vtz usr/share/nwchem/libraries/ano-rcc usr/share/nwchem/libraries/apr-cc-pvq+dz usr/share/nwchem/libraries/aqzp usr/share/nwchem/libraries/atzp usr/share/nwchem/libraries/aug-cc-pcv5z usr/share/nwchem/libraries/aug-cc-pcvdz usr/share/nwchem/libraries/aug-cc-pcvqz usr/share/nwchem/libraries/aug-cc-pcvt+dz usr/share/nwchem/libraries/aug-cc-pcvtz usr/share/nwchem/libraries/aug-cc-pv5+dz usr/share/nwchem/libraries/aug-cc-pv5+dz_diffuse usr/share/nwchem/libraries/aug-cc-pv5z usr/share/nwchem/libraries/aug-cc-pv5z-dk usr/share/nwchem/libraries/aug-cc-pv5z-dk_diffuse usr/share/nwchem/libraries/aug-cc-pv5z-nr_mp2_fitting usr/share/nwchem/libraries/aug-cc-pv5z-pp usr/share/nwchem/libraries/aug-cc-pv5z-pp-ri_diffuse usr/share/nwchem/libraries/aug-cc-pv5z-pp_diffuse usr/share/nwchem/libraries/aug-cc-pv5z-pp_mp2_fitting usr/share/nwchem/libraries/aug-cc-pv5z-pp_optri usr/share/nwchem/libraries/aug-cc-pv5z-ri_diffuse usr/share/nwchem/libraries/aug-cc-pv5z_diffuse usr/share/nwchem/libraries/aug-cc-pv5z_optri usr/share/nwchem/libraries/aug-cc-pv6+dz usr/share/nwchem/libraries/aug-cc-pv6+dz_diffuse usr/share/nwchem/libraries/aug-cc-pv6z usr/share/nwchem/libraries/aug-cc-pv6z-ri_diffuse usr/share/nwchem/libraries/aug-cc-pv6z_diffuse usr/share/nwchem/libraries/aug-cc-pv7+dz usr/share/nwchem/libraries/aug-cc-pv7z usr/share/nwchem/libraries/aug-cc-pvd+dz usr/share/nwchem/libraries/aug-cc-pvd+dz_diffuse usr/share/nwchem/libraries/aug-cc-pvdz usr/share/nwchem/libraries/aug-cc-pvdz-dk usr/share/nwchem/libraries/aug-cc-pvdz-dk_diffuse usr/share/nwchem/libraries/aug-cc-pvdz-pp usr/share/nwchem/libraries/aug-cc-pvdz-pp-ri_diffuse usr/share/nwchem/libraries/aug-cc-pvdz-pp_diffuse usr/share/nwchem/libraries/aug-cc-pvdz-pp_mp2_fitting usr/share/nwchem/libraries/aug-cc-pvdz-pp_optri usr/share/nwchem/libraries/aug-cc-pvdz-ri_diffuse usr/share/nwchem/libraries/aug-cc-pvdz_diffuse usr/share/nwchem/libraries/aug-cc-pvdz_optri usr/share/nwchem/libraries/aug-cc-pvq+dz usr/share/nwchem/libraries/aug-cc-pvq+dz_diffuse usr/share/nwchem/libraries/aug-cc-pvqz usr/share/nwchem/libraries/aug-cc-pvqz-dk usr/share/nwchem/libraries/aug-cc-pvqz-dk_diffuse usr/share/nwchem/libraries/aug-cc-pvqz-nr_mp2_fitting usr/share/nwchem/libraries/aug-cc-pvqz-pp usr/share/nwchem/libraries/aug-cc-pvqz-pp-ri_diffuse usr/share/nwchem/libraries/aug-cc-pvqz-pp_diffuse usr/share/nwchem/libraries/aug-cc-pvqz-pp_mp2_fitting usr/share/nwchem/libraries/aug-cc-pvqz-pp_optri usr/share/nwchem/libraries/aug-cc-pvqz-ri_diffuse usr/share/nwchem/libraries/aug-cc-pvqz_diffuse usr/share/nwchem/libraries/aug-cc-pvqz_optri usr/share/nwchem/libraries/aug-cc-pvt+dz usr/share/nwchem/libraries/aug-cc-pvt+dz_diffuse usr/share/nwchem/libraries/aug-cc-pvtz usr/share/nwchem/libraries/aug-cc-pvtz-dk usr/share/nwchem/libraries/aug-cc-pvtz-dk_diffuse usr/share/nwchem/libraries/aug-cc-pvtz-j usr/share/nwchem/libraries/aug-cc-pvtz-pp usr/share/nwchem/libraries/aug-cc-pvtz-pp-ri_diffuse usr/share/nwchem/libraries/aug-cc-pvtz-pp_diffuse usr/share/nwchem/libraries/aug-cc-pvtz-pp_mp2_fitting usr/share/nwchem/libraries/aug-cc-pvtz-pp_optri usr/share/nwchem/libraries/aug-cc-pvtz-ri_diffuse usr/share/nwchem/libraries/aug-cc-pvtz_diffuse usr/share/nwchem/libraries/aug-cc-pvtz_mp2_fitting usr/share/nwchem/libraries/aug-cc-pvtz_optri usr/share/nwchem/libraries/aug-cc-pwcv5z usr/share/nwchem/libraries/aug-cc-pwcv5z-dk usr/share/nwchem/libraries/aug-cc-pwcv5z-nr usr/share/nwchem/libraries/aug-cc-pwcv5z-pp_mp2_fitting usr/share/nwchem/libraries/aug-cc-pwcv5z-pp_optri usr/share/nwchem/libraries/aug-cc-pwcvdz usr/share/nwchem/libraries/aug-cc-pwcvdz-pp_mp2_fitting usr/share/nwchem/libraries/aug-cc-pwcvdz-pp_optri usr/share/nwchem/libraries/aug-cc-pwcvqz usr/share/nwchem/libraries/aug-cc-pwcvqz-dk usr/share/nwchem/libraries/aug-cc-pwcvqz-nr usr/share/nwchem/libraries/aug-cc-pwcvqz-pp_mp2_fitting usr/share/nwchem/libraries/aug-cc-pwcvqz-pp_optri usr/share/nwchem/libraries/aug-cc-pwcvtz usr/share/nwchem/libraries/aug-cc-pwcvtz-dk usr/share/nwchem/libraries/aug-cc-pwcvtz-nr usr/share/nwchem/libraries/aug-cc-pwcvtz-nr_mp2_fitting usr/share/nwchem/libraries/aug-cc-pwcvtz-pp_mp2_fitting usr/share/nwchem/libraries/aug-cc-pwcvtz-pp_optri usr/share/nwchem/libraries/aug-mcc-pv5z usr/share/nwchem/libraries/aug-mcc-pv6z usr/share/nwchem/libraries/aug-mcc-pv7z usr/share/nwchem/libraries/aug-mcc-pv8z usr/share/nwchem/libraries/aug-mcc-pvqz usr/share/nwchem/libraries/aug-mcc-pvtz usr/share/nwchem/libraries/aug-pc-0 usr/share/nwchem/libraries/aug-pc-1 usr/share/nwchem/libraries/aug-pc-2 usr/share/nwchem/libraries/aug-pc-3 usr/share/nwchem/libraries/aug-pc-4 usr/share/nwchem/libraries/aug-pc-infinity usr/share/nwchem/libraries/aug-pcj-0 usr/share/nwchem/libraries/aug-pcj-0_2006 usr/share/nwchem/libraries/aug-pcj-1 usr/share/nwchem/libraries/aug-pcj-1_2006 usr/share/nwchem/libraries/aug-pcj-2 usr/share/nwchem/libraries/aug-pcj-2_2006 usr/share/nwchem/libraries/aug-pcj-3 usr/share/nwchem/libraries/aug-pcj-3_2006 usr/share/nwchem/libraries/aug-pcj-4 usr/share/nwchem/libraries/aug-pcj-4_2006 usr/share/nwchem/libraries/aug-pcs-0 usr/share/nwchem/libraries/aug-pcs-1 usr/share/nwchem/libraries/aug-pcs-2 usr/share/nwchem/libraries/aug-pcs-3 usr/share/nwchem/libraries/aug-pcs-4 usr/share/nwchem/libraries/aug-pcseg-0 usr/share/nwchem/libraries/aug-pcseg-1 usr/share/nwchem/libraries/aug-pcseg-2 usr/share/nwchem/libraries/aug-pcseg-3 usr/share/nwchem/libraries/aug-pcseg-4 usr/share/nwchem/libraries/aug-pcsseg-0 usr/share/nwchem/libraries/aug-pcsseg-1 usr/share/nwchem/libraries/aug-pcsseg-2 usr/share/nwchem/libraries/aug-pcsseg-3 usr/share/nwchem/libraries/aug-pcsseg-4 usr/share/nwchem/libraries/aug-pv7z usr/share/nwchem/libraries/aug-pv7z_diffuse usr/share/nwchem/libraries/b2_basis_set_for_zn usr/share/nwchem/libraries/bauschlicher_ano usr/share/nwchem/libraries/binning-curtiss_1d_polarization usr/share/nwchem/libraries/binning-curtiss_df_polarization usr/share/nwchem/libraries/binning_curtiss_sv usr/share/nwchem/libraries/binning_curtiss_svp usr/share/nwchem/libraries/binning_curtiss_vtz usr/share/nwchem/libraries/binning_curtiss_vtzp usr/share/nwchem/libraries/blaudeau_polarization usr/share/nwchem/libraries/cc-pcv5z usr/share/nwchem/libraries/cc-pcv6z usr/share/nwchem/libraries/cc-pcv6zold usr/share/nwchem/libraries/cc-pcvdz usr/share/nwchem/libraries/cc-pcvdz-f12 usr/share/nwchem/libraries/cc-pcvdz-f12_mp2_fitting usr/share/nwchem/libraries/cc-pcvdz-f12_optri usr/share/nwchem/libraries/cc-pcvdzold usr/share/nwchem/libraries/cc-pcvqz usr/share/nwchem/libraries/cc-pcvqz-f12 usr/share/nwchem/libraries/cc-pcvqz-f12_mp2_fitting usr/share/nwchem/libraries/cc-pcvqz-f12_optri usr/share/nwchem/libraries/cc-pcvqzold usr/share/nwchem/libraries/cc-pcvtz usr/share/nwchem/libraries/cc-pcvtz-f12 usr/share/nwchem/libraries/cc-pcvtz-f12_mp2_fitting usr/share/nwchem/libraries/cc-pcvtz-f12_optri usr/share/nwchem/libraries/cc-pcvtzold usr/share/nwchem/libraries/cc-pv5+dz usr/share/nwchem/libraries/cc-pv5+dz-ri usr/share/nwchem/libraries/cc-pv5z usr/share/nwchem/libraries/cc-pv5z-dk usr/share/nwchem/libraries/cc-pv5z-nr_mp2_fitting usr/share/nwchem/libraries/cc-pv5z-pp usr/share/nwchem/libraries/cc-pv5z-pp-ri usr/share/nwchem/libraries/cc-pv5z-pp_mp2_fitting usr/share/nwchem/libraries/cc-pv5z-ri usr/share/nwchem/libraries/cc-pv5zfi_sf_fw usr/share/nwchem/libraries/cc-pv5zfi_sf_lc usr/share/nwchem/libraries/cc-pv5zfi_sf_sc usr/share/nwchem/libraries/cc-pv5zpt_sf_fw usr/share/nwchem/libraries/cc-pv5zpt_sf_lc usr/share/nwchem/libraries/cc-pv5zpt_sf_sc usr/share/nwchem/libraries/cc-pv6+dz usr/share/nwchem/libraries/cc-pv6+dz-ri usr/share/nwchem/libraries/cc-pv6z usr/share/nwchem/libraries/cc-pv6z-ri usr/share/nwchem/libraries/cc-pv8z usr/share/nwchem/libraries/cc-pv9z usr/share/nwchem/libraries/cc-pvd+dz usr/share/nwchem/libraries/cc-pvd+dz-ri usr/share/nwchem/libraries/cc-pvdz usr/share/nwchem/libraries/cc-pvdz-dk usr/share/nwchem/libraries/cc-pvdz-dk3 usr/share/nwchem/libraries/cc-pvdz-f12 usr/share/nwchem/libraries/cc-pvdz-f12_mp2_fitting usr/share/nwchem/libraries/cc-pvdz-f12_optri usr/share/nwchem/libraries/cc-pvdz-fit2-1 usr/share/nwchem/libraries/cc-pvdz-pp usr/share/nwchem/libraries/cc-pvdz-pp-ri usr/share/nwchem/libraries/cc-pvdz-pp_mp2_fitting usr/share/nwchem/libraries/cc-pvdz-ri usr/share/nwchem/libraries/cc-pvdzfi_sf_fw usr/share/nwchem/libraries/cc-pvdzfi_sf_lc usr/share/nwchem/libraries/cc-pvdzfi_sf_sc usr/share/nwchem/libraries/cc-pvdzpt_sf_fw usr/share/nwchem/libraries/cc-pvdzpt_sf_lc usr/share/nwchem/libraries/cc-pvdzpt_sf_sc usr/share/nwchem/libraries/cc-pvdzseg-opt usr/share/nwchem/libraries/cc-pvq+dz usr/share/nwchem/libraries/cc-pvq+dz-ri usr/share/nwchem/libraries/cc-pvqz usr/share/nwchem/libraries/cc-pvqz-dk usr/share/nwchem/libraries/cc-pvqz-dk3 usr/share/nwchem/libraries/cc-pvqz-f12 usr/share/nwchem/libraries/cc-pvqz-f12_mp2_fitting usr/share/nwchem/libraries/cc-pvqz-f12_optri usr/share/nwchem/libraries/cc-pvqz-nr_mp2_fitting usr/share/nwchem/libraries/cc-pvqz-pp usr/share/nwchem/libraries/cc-pvqz-pp-ri usr/share/nwchem/libraries/cc-pvqz-pp_mp2_fitting usr/share/nwchem/libraries/cc-pvqz-ri usr/share/nwchem/libraries/cc-pvqzfi_sf_fw usr/share/nwchem/libraries/cc-pvqzfi_sf_lc usr/share/nwchem/libraries/cc-pvqzfi_sf_sc usr/share/nwchem/libraries/cc-pvqzpt_sf_fw usr/share/nwchem/libraries/cc-pvqzpt_sf_lc usr/share/nwchem/libraries/cc-pvqzpt_sf_sc usr/share/nwchem/libraries/cc-pvqzseg-opt usr/share/nwchem/libraries/cc-pvt+dz usr/share/nwchem/libraries/cc-pvt+dz+ usr/share/nwchem/libraries/cc-pvt+dz-dk usr/share/nwchem/libraries/cc-pvt+dz-ri usr/share/nwchem/libraries/cc-pvtz usr/share/nwchem/libraries/cc-pvtz-dk usr/share/nwchem/libraries/cc-pvtz-dk3 usr/share/nwchem/libraries/cc-pvtz-f12 usr/share/nwchem/libraries/cc-pvtz-f12_mp2_fitting usr/share/nwchem/libraries/cc-pvtz-f12_optri usr/share/nwchem/libraries/cc-pvtz-fit2-1 usr/share/nwchem/libraries/cc-pvtz-pp usr/share/nwchem/libraries/cc-pvtz-pp-ri usr/share/nwchem/libraries/cc-pvtz-pp_mp2_fitting usr/share/nwchem/libraries/cc-pvtz-ri usr/share/nwchem/libraries/cc-pvtz_mp2_fitting usr/share/nwchem/libraries/cc-pvtzfi_sf_fw usr/share/nwchem/libraries/cc-pvtzfi_sf_lc usr/share/nwchem/libraries/cc-pvtzfi_sf_sc usr/share/nwchem/libraries/cc-pvtzpt_sf_fw usr/share/nwchem/libraries/cc-pvtzpt_sf_lc usr/share/nwchem/libraries/cc-pvtzpt_sf_sc usr/share/nwchem/libraries/cc-pvtzseg-opt usr/share/nwchem/libraries/cc-pwcv5z usr/share/nwchem/libraries/cc-pwcv5z-dk usr/share/nwchem/libraries/cc-pwcv5z-nr usr/share/nwchem/libraries/cc-pwcv5z-pp usr/share/nwchem/libraries/cc-pwcv5z-pp_mp2_fitting usr/share/nwchem/libraries/cc-pwcv5z-ri usr/share/nwchem/libraries/cc-pwcv5z-ri_tight usr/share/nwchem/libraries/cc-pwcv5z_core_set usr/share/nwchem/libraries/cc-pwcv5z_tight usr/share/nwchem/libraries/cc-pwcvdz usr/share/nwchem/libraries/cc-pwcvdz-dk3 usr/share/nwchem/libraries/cc-pwcvdz-pp usr/share/nwchem/libraries/cc-pwcvdz-pp_mp2_fitting usr/share/nwchem/libraries/cc-pwcvdz-ri usr/share/nwchem/libraries/cc-pwcvdz-ri_tight usr/share/nwchem/libraries/cc-pwcvdz_tight usr/share/nwchem/libraries/cc-pwcvqz usr/share/nwchem/libraries/cc-pwcvqz-dk usr/share/nwchem/libraries/cc-pwcvqz-dk3 usr/share/nwchem/libraries/cc-pwcvqz-nr usr/share/nwchem/libraries/cc-pwcvqz-pp usr/share/nwchem/libraries/cc-pwcvqz-pp_mp2_fitting usr/share/nwchem/libraries/cc-pwcvqz-ri usr/share/nwchem/libraries/cc-pwcvqz-ri_tight usr/share/nwchem/libraries/cc-pwcvqz_tight usr/share/nwchem/libraries/cc-pwcvtz usr/share/nwchem/libraries/cc-pwcvtz-dk usr/share/nwchem/libraries/cc-pwcvtz-dk3 usr/share/nwchem/libraries/cc-pwcvtz-nr usr/share/nwchem/libraries/cc-pwcvtz-nr_mp2_fitting usr/share/nwchem/libraries/cc-pwcvtz-pp usr/share/nwchem/libraries/cc-pwcvtz-pp_mp2_fitting usr/share/nwchem/libraries/cc-pwcvtz-ri usr/share/nwchem/libraries/cc-pwcvtz-ri_tight usr/share/nwchem/libraries/cc-pwcvtz_tight usr/share/nwchem/libraries/ccemd-2 usr/share/nwchem/libraries/ccemd-3 usr/share/nwchem/libraries/ccj-pv5z usr/share/nwchem/libraries/ccj-pvdz usr/share/nwchem/libraries/ccj-pvqz usr/share/nwchem/libraries/ccj-pvtz usr/share/nwchem/libraries/chipman_dzp_+_diffuse usr/share/nwchem/libraries/coemd-2 usr/share/nwchem/libraries/coemd-3 usr/share/nwchem/libraries/coemd-4 usr/share/nwchem/libraries/coemd-ref usr/share/nwchem/libraries/cologne_dkh2 usr/share/nwchem/libraries/core_valence_functions_cc-pcv5z usr/share/nwchem/libraries/core_valence_functions_cc-pcv6z usr/share/nwchem/libraries/core_valence_functions_cc-pcv6zold usr/share/nwchem/libraries/core_valence_functions_cc-pcvdz usr/share/nwchem/libraries/core_valence_functions_cc-pcvdzold usr/share/nwchem/libraries/core_valence_functions_cc-pcvqz usr/share/nwchem/libraries/core_valence_functions_cc-pcvqzold usr/share/nwchem/libraries/core_valence_functions_cc-pcvtz usr/share/nwchem/libraries/core_valence_functions_cc-pcvtzold usr/share/nwchem/libraries/crenbl_ecp usr/share/nwchem/libraries/crenbs_ecp usr/share/nwchem/libraries/cvtz usr/share/nwchem/libraries/d-aug-cc-pv5z usr/share/nwchem/libraries/d-aug-cc-pv5z_diffuse usr/share/nwchem/libraries/d-aug-cc-pv6z usr/share/nwchem/libraries/d-aug-cc-pv6z_diffuse usr/share/nwchem/libraries/d-aug-cc-pvdz usr/share/nwchem/libraries/d-aug-cc-pvdz_diffuse usr/share/nwchem/libraries/d-aug-cc-pvqz usr/share/nwchem/libraries/d-aug-cc-pvqz_diffuse usr/share/nwchem/libraries/d-aug-cc-pvtz usr/share/nwchem/libraries/d-aug-cc-pvtz_diffuse usr/share/nwchem/libraries/def2-ecp usr/share/nwchem/libraries/def2-qzvp usr/share/nwchem/libraries/def2-qzvpd usr/share/nwchem/libraries/def2-qzvpp usr/share/nwchem/libraries/def2-qzvppd usr/share/nwchem/libraries/def2-svp usr/share/nwchem/libraries/def2-svpd usr/share/nwchem/libraries/def2-tzvp usr/share/nwchem/libraries/def2-tzvpd usr/share/nwchem/libraries/def2-tzvpp usr/share/nwchem/libraries/def2-tzvppd usr/share/nwchem/libraries/demon_coulomb_fitting usr/share/nwchem/libraries/dgauss_a1_dft_coulomb_fitting usr/share/nwchem/libraries/dgauss_a1_dft_exchange_fitting usr/share/nwchem/libraries/dgauss_a2_dft_coulomb_fitting usr/share/nwchem/libraries/dgauss_a2_dft_exchange_fitting usr/share/nwchem/libraries/dhf-ecp usr/share/nwchem/libraries/dhf-qzvp usr/share/nwchem/libraries/dhf-qzvpp usr/share/nwchem/libraries/dhf-svp usr/share/nwchem/libraries/dhf-tzvp usr/share/nwchem/libraries/dhf-tzvpp usr/share/nwchem/libraries/dhms_polarization usr/share/nwchem/libraries/dunning-hay_diffuse usr/share/nwchem/libraries/dunning-hay_double_rydberg usr/share/nwchem/libraries/dunning-hay_rydberg usr/share/nwchem/libraries/dz_+_double_rydberg_dunning-hay usr/share/nwchem/libraries/dz_+_rydberg_dunning usr/share/nwchem/libraries/dz_dunning usr/share/nwchem/libraries/dzp usr/share/nwchem/libraries/dzp-dkh usr/share/nwchem/libraries/dzp_+_diffuse_dunning usr/share/nwchem/libraries/dzp_+_rydberg_dunning usr/share/nwchem/libraries/dzp_dunning usr/share/nwchem/libraries/dzq usr/share/nwchem/libraries/dzvp2_dft_orbital usr/share/nwchem/libraries/dzvp_dft_orbital usr/share/nwchem/libraries/feller_misc._cvdz usr/share/nwchem/libraries/feller_misc._cvqz usr/share/nwchem/libraries/feller_misc._cvtz usr/share/nwchem/libraries/g3largexp usr/share/nwchem/libraries/g3mp2large usr/share/nwchem/libraries/g3mp2largexp usr/share/nwchem/libraries/gamess_pvtz usr/share/nwchem/libraries/gamess_vtz usr/share/nwchem/libraries/glendening_polarization usr/share/nwchem/libraries/hay-wadt_mb_n+1_ecp usr/share/nwchem/libraries/hay-wadt_vdz_n+1_ecp usr/share/nwchem/libraries/hay_wadt_n-1_ecp usr/share/nwchem/libraries/hondo7_polarization usr/share/nwchem/libraries/huzinaga_polarization usr/share/nwchem/libraries/iglo-ii usr/share/nwchem/libraries/iglo-iii usr/share/nwchem/libraries/jul-cc-pvd+dz usr/share/nwchem/libraries/jul-cc-pvq+dz usr/share/nwchem/libraries/jul-cc-pvt+dz usr/share/nwchem/libraries/jun-cc-pvd+dz usr/share/nwchem/libraries/jun-cc-pvq+dz usr/share/nwchem/libraries/jun-cc-pvt+dz usr/share/nwchem/libraries/lanl08 usr/share/nwchem/libraries/lanl08+ usr/share/nwchem/libraries/lanl08d usr/share/nwchem/libraries/lanl08f usr/share/nwchem/libraries/lanl2-10s8p7d3f2g usr/share/nwchem/libraries/lanl2-5s4p4d2f usr/share/nwchem/libraries/lanl2-6s4p4d2f usr/share/nwchem/libraries/lanl2-[10s8p7d3f2g] usr/share/nwchem/libraries/lanl2-[5s4p4d2f] usr/share/nwchem/libraries/lanl2-[6s4p4d2f] usr/share/nwchem/libraries/lanl2dz+1d1f usr/share/nwchem/libraries/lanl2dz+2s2p2d2f usr/share/nwchem/libraries/lanl2dz_ecp usr/share/nwchem/libraries/lanl2dzdp_ecp usr/share/nwchem/libraries/lanl2dzdp_ecp_polarization usr/share/nwchem/libraries/lanl2tz usr/share/nwchem/libraries/lanl2tz+ usr/share/nwchem/libraries/lanl2tzf usr/share/nwchem/libraries/m6-31g usr/share/nwchem/libraries/m6-31gs usr/share/nwchem/libraries/maug-cc-pvd+dz usr/share/nwchem/libraries/maug-cc-pvdz usr/share/nwchem/libraries/maug-cc-pvq+dz usr/share/nwchem/libraries/maug-cc-pvqz usr/share/nwchem/libraries/maug-cc-pvt+dz usr/share/nwchem/libraries/maug-cc-pvtz usr/share/nwchem/libraries/may-cc-pvq+dz usr/share/nwchem/libraries/may-cc-pvt+dz usr/share/nwchem/libraries/mclean_chandler_vtz usr/share/nwchem/libraries/mg3s usr/share/nwchem/libraries/midi! usr/share/nwchem/libraries/midi_huzinaga usr/share/nwchem/libraries/mini_huzinaga usr/share/nwchem/libraries/mini_scaled usr/share/nwchem/libraries/minis-bsip1 usr/share/nwchem/libraries/modified_lanl2dz usr/share/nwchem/libraries/nasa_ames_ano usr/share/nwchem/libraries/nasa_ames_ano2 usr/share/nwchem/libraries/nasa_ames_cc-pcv5z usr/share/nwchem/libraries/nasa_ames_cc-pcvqz usr/share/nwchem/libraries/nasa_ames_cc-pcvtz usr/share/nwchem/libraries/nasa_ames_cc-pv5z usr/share/nwchem/libraries/nasa_ames_cc-pvqz usr/share/nwchem/libraries/nasa_ames_cc-pvtz usr/share/nwchem/libraries/nlo-v usr/share/nwchem/libraries/nmr-dkh_tz2p usr/share/nwchem/libraries/partridge_uncontracted_1 usr/share/nwchem/libraries/partridge_uncontracted_2 usr/share/nwchem/libraries/partridge_uncontracted_3 usr/share/nwchem/libraries/partridge_uncontracted_4 usr/share/nwchem/libraries/pc-0 usr/share/nwchem/libraries/pc-1 usr/share/nwchem/libraries/pc-2 usr/share/nwchem/libraries/pc-3 usr/share/nwchem/libraries/pc-4 usr/share/nwchem/libraries/pcemd-2 usr/share/nwchem/libraries/pcemd-3 usr/share/nwchem/libraries/pcemd-4 usr/share/nwchem/libraries/pcj-0 usr/share/nwchem/libraries/pcj-0_2006 usr/share/nwchem/libraries/pcj-1 usr/share/nwchem/libraries/pcj-1_2006 usr/share/nwchem/libraries/pcj-2 usr/share/nwchem/libraries/pcj-2_2006 usr/share/nwchem/libraries/pcj-3 usr/share/nwchem/libraries/pcj-3_2006 usr/share/nwchem/libraries/pcj-4 usr/share/nwchem/libraries/pcj-4_2006 usr/share/nwchem/libraries/pcs-0 usr/share/nwchem/libraries/pcs-1 usr/share/nwchem/libraries/pcs-2 usr/share/nwchem/libraries/pcs-3 usr/share/nwchem/libraries/pcs-4 usr/share/nwchem/libraries/pcseg-0 usr/share/nwchem/libraries/pcseg-1 usr/share/nwchem/libraries/pcseg-2 usr/share/nwchem/libraries/pcseg-3 usr/share/nwchem/libraries/pcseg-4 usr/share/nwchem/libraries/pcsseg-0 usr/share/nwchem/libraries/pcsseg-1 usr/share/nwchem/libraries/pcsseg-2 usr/share/nwchem/libraries/pcsseg-3 usr/share/nwchem/libraries/pcsseg-4 usr/share/nwchem/libraries/pople-style_diffuse usr/share/nwchem/libraries/pople_2d_2p_polarization usr/share/nwchem/libraries/pople_2df_2pd_polarization usr/share/nwchem/libraries/pople_3df_3pd_polarization usr/share/nwchem/libraries/psbkjc usr/share/nwchem/libraries/pt_-_mdzp usr/share/nwchem/libraries/pv6z usr/share/nwchem/libraries/pv7z usr/share/nwchem/libraries/q-aug-cc-pv5z_diffuse usr/share/nwchem/libraries/q-aug-cc-pv6z_diffuse usr/share/nwchem/libraries/q-aug-cc-pvdz_diffuse usr/share/nwchem/libraries/q-aug-cc-pvqz_diffuse usr/share/nwchem/libraries/q-aug-cc-pvtz_diffuse usr/share/nwchem/libraries/qmmm_zhang_3-21g_ecp usr/share/nwchem/libraries/qmmm_zhang_6-31gs_ecp usr/share/nwchem/libraries/qzp usr/share/nwchem/libraries/qzp-dkh usr/share/nwchem/libraries/rel-modelpotentials usr/share/nwchem/libraries/rel-modelpotentials/modbas.2c usr/share/nwchem/libraries/rel-modelpotentials/modbas.4c usr/share/nwchem/libraries/roos-ano-dz usr/share/nwchem/libraries/roos-ano-tz usr/share/nwchem/libraries/roos_augmented_double_zeta_ano usr/share/nwchem/libraries/roos_augmented_triple_zeta_ano usr/share/nwchem/libraries/s3-21g usr/share/nwchem/libraries/s3-21gs usr/share/nwchem/libraries/s6-31g usr/share/nwchem/libraries/s6-31gs usr/share/nwchem/libraries/sadlej+ usr/share/nwchem/libraries/sadlej_pvtz usr/share/nwchem/libraries/sarc-dkh usr/share/nwchem/libraries/sarc-zora usr/share/nwchem/libraries/sarc2-qzv-dkh usr/share/nwchem/libraries/sarc2-qzv-dkh_jk usr/share/nwchem/libraries/sarc2-qzv-zora usr/share/nwchem/libraries/sarc2-qzv-zora_jk usr/share/nwchem/libraries/sarc2-qzvp-dkh usr/share/nwchem/libraries/sarc2-qzvp-dkh_jk usr/share/nwchem/libraries/sarc2-qzvp-zora usr/share/nwchem/libraries/sarc2-qzvp-zora_jk usr/share/nwchem/libraries/sbkjc_ecp usr/share/nwchem/libraries/sbkjc_polarized_p_2d_-_lfk usr/share/nwchem/libraries/sbkjc_vdz_ecp usr/share/nwchem/libraries/sdb-aug-cc-pvqz usr/share/nwchem/libraries/sdb-aug-cc-pvqz_diffuse usr/share/nwchem/libraries/sdb-aug-cc-pvtz usr/share/nwchem/libraries/sdb-aug-cc-pvtz_diffuse usr/share/nwchem/libraries/sdb-cc-pvqz usr/share/nwchem/libraries/sdb-cc-pvtz usr/share/nwchem/libraries/sdb_rlc_ecp usr/share/nwchem/libraries/sto-2g usr/share/nwchem/libraries/sto-3g usr/share/nwchem/libraries/sto-3gs usr/share/nwchem/libraries/sto-3gs_polarization usr/share/nwchem/libraries/sto-6g usr/share/nwchem/libraries/stuttgart-koeln_mcdhf_rsc_ecp usr/share/nwchem/libraries/stuttgart_rlc_ecp usr/share/nwchem/libraries/stuttgart_rsc_1997_ecp usr/share/nwchem/libraries/stuttgart_rsc_ano_ecp usr/share/nwchem/libraries/stuttgart_rsc_ecp usr/share/nwchem/libraries/stuttgart_rsc_segmented_ecp usr/share/nwchem/libraries/sv_+_double_rydberg_dunning-hay usr/share/nwchem/libraries/sv_+_rydberg_dunning-hay usr/share/nwchem/libraries/sv_dunning-hay usr/share/nwchem/libraries/svp_+_diffuse_+_rydberg usr/share/nwchem/libraries/svp_+_diffuse_dunning-hay usr/share/nwchem/libraries/svp_+_rydberg_dunning-hay usr/share/nwchem/libraries/svp_dunning-hay usr/share/nwchem/libraries/t-aug-cc-pv5z_diffuse usr/share/nwchem/libraries/t-aug-cc-pv6z_diffuse usr/share/nwchem/libraries/t-aug-cc-pvdz_diffuse usr/share/nwchem/libraries/t-aug-cc-pvqz_diffuse usr/share/nwchem/libraries/t-aug-cc-pvtz_diffuse usr/share/nwchem/libraries/tz_dunning usr/share/nwchem/libraries/tzp usr/share/nwchem/libraries/tzp-dkh usr/share/nwchem/libraries/tzvp_dft_orbital usr/share/nwchem/libraries/ugbs usr/share/nwchem/libraries/un-ccemd-ref usr/share/nwchem/libraries/un-pcemd-ref usr/share/nwchem/libraries/wachters+f usr/share/nwchem/libraries/weigend_coulomb_fitting usr/share/nwchem/libraries/wtbs usr/share/nwchem/libraries/x2c-coulomb-fitting usr/share/nwchem/libraries/x2c-svpall usr/share/nwchem/libraries/x2c-svpall-2c usr/share/nwchem/libraries/x2c-tzvpall usr/share/nwchem/libraries/x2c-tzvpall-2c usr/share/nwchem/libraries/x2c-tzvppall usr/share/nwchem/libraries/x2c-tzvppall-2c usr/share/nwchem/libraries/z3pol usr/share/nwchem/libraryps usr/share/nwchem/libraryps/GNUmakefile usr/share/nwchem/libraryps/HGH_LDA usr/share/nwchem/libraryps/HGH_LDA/Ag usr/share/nwchem/libraryps/HGH_LDA/Al usr/share/nwchem/libraryps/HGH_LDA/Ar usr/share/nwchem/libraryps/HGH_LDA/As usr/share/nwchem/libraryps/HGH_LDA/At usr/share/nwchem/libraryps/HGH_LDA/Au usr/share/nwchem/libraryps/HGH_LDA/B usr/share/nwchem/libraryps/HGH_LDA/Ba usr/share/nwchem/libraryps/HGH_LDA/Be usr/share/nwchem/libraryps/HGH_LDA/Bi usr/share/nwchem/libraryps/HGH_LDA/Br usr/share/nwchem/libraryps/HGH_LDA/C usr/share/nwchem/libraryps/HGH_LDA/Ca usr/share/nwchem/libraryps/HGH_LDA/Cd usr/share/nwchem/libraryps/HGH_LDA/Ce usr/share/nwchem/libraryps/HGH_LDA/Cl usr/share/nwchem/libraryps/HGH_LDA/Co usr/share/nwchem/libraryps/HGH_LDA/Cr usr/share/nwchem/libraryps/HGH_LDA/Cs usr/share/nwchem/libraryps/HGH_LDA/Cu usr/share/nwchem/libraryps/HGH_LDA/Eu usr/share/nwchem/libraryps/HGH_LDA/F usr/share/nwchem/libraryps/HGH_LDA/Fe usr/share/nwchem/libraryps/HGH_LDA/Ga usr/share/nwchem/libraryps/HGH_LDA/Ge usr/share/nwchem/libraryps/HGH_LDA/H usr/share/nwchem/libraryps/HGH_LDA/He usr/share/nwchem/libraryps/HGH_LDA/Hf usr/share/nwchem/libraryps/HGH_LDA/Hg usr/share/nwchem/libraryps/HGH_LDA/I usr/share/nwchem/libraryps/HGH_LDA/In usr/share/nwchem/libraryps/HGH_LDA/Ir usr/share/nwchem/libraryps/HGH_LDA/K usr/share/nwchem/libraryps/HGH_LDA/Kr usr/share/nwchem/libraryps/HGH_LDA/La usr/share/nwchem/libraryps/HGH_LDA/Li usr/share/nwchem/libraryps/HGH_LDA/Lu usr/share/nwchem/libraryps/HGH_LDA/Mg usr/share/nwchem/libraryps/HGH_LDA/Mn usr/share/nwchem/libraryps/HGH_LDA/Mo usr/share/nwchem/libraryps/HGH_LDA/N usr/share/nwchem/libraryps/HGH_LDA/Na usr/share/nwchem/libraryps/HGH_LDA/Nb usr/share/nwchem/libraryps/HGH_LDA/Nd usr/share/nwchem/libraryps/HGH_LDA/Ne usr/share/nwchem/libraryps/HGH_LDA/Ni usr/share/nwchem/libraryps/HGH_LDA/O usr/share/nwchem/libraryps/HGH_LDA/Os usr/share/nwchem/libraryps/HGH_LDA/P usr/share/nwchem/libraryps/HGH_LDA/Pb usr/share/nwchem/libraryps/HGH_LDA/Pd usr/share/nwchem/libraryps/HGH_LDA/Pm usr/share/nwchem/libraryps/HGH_LDA/Po usr/share/nwchem/libraryps/HGH_LDA/Pr usr/share/nwchem/libraryps/HGH_LDA/Pt usr/share/nwchem/libraryps/HGH_LDA/Rb usr/share/nwchem/libraryps/HGH_LDA/Re usr/share/nwchem/libraryps/HGH_LDA/Rh usr/share/nwchem/libraryps/HGH_LDA/Rn usr/share/nwchem/libraryps/HGH_LDA/Ru usr/share/nwchem/libraryps/HGH_LDA/S usr/share/nwchem/libraryps/HGH_LDA/Sb usr/share/nwchem/libraryps/HGH_LDA/Sc usr/share/nwchem/libraryps/HGH_LDA/Se usr/share/nwchem/libraryps/HGH_LDA/Si usr/share/nwchem/libraryps/HGH_LDA/Sm usr/share/nwchem/libraryps/HGH_LDA/Sn usr/share/nwchem/libraryps/HGH_LDA/Sr usr/share/nwchem/libraryps/HGH_LDA/Ta usr/share/nwchem/libraryps/HGH_LDA/Tc usr/share/nwchem/libraryps/HGH_LDA/Te usr/share/nwchem/libraryps/HGH_LDA/Ti usr/share/nwchem/libraryps/HGH_LDA/Tl usr/share/nwchem/libraryps/HGH_LDA/V usr/share/nwchem/libraryps/HGH_LDA/W usr/share/nwchem/libraryps/HGH_LDA/Xe usr/share/nwchem/libraryps/HGH_LDA/Y usr/share/nwchem/libraryps/HGH_LDA/Zn usr/share/nwchem/libraryps/HGH_LDA/Zr usr/share/nwchem/libraryps/MakeFile usr/share/nwchem/libraryps/Spin_Orbit usr/share/nwchem/libraryps/Spin_Orbit/U usr/share/nwchem/libraryps/TETER usr/share/nwchem/libraryps/TETER/Ga usr/share/nwchem/libraryps/TETER/N usr/share/nwchem/libraryps/TM usr/share/nwchem/libraryps/TM/Ag usr/share/nwchem/libraryps/TM/Al usr/share/nwchem/libraryps/TM/Ar usr/share/nwchem/libraryps/TM/As usr/share/nwchem/libraryps/TM/At usr/share/nwchem/libraryps/TM/Au usr/share/nwchem/libraryps/TM/B usr/share/nwchem/libraryps/TM/Ba usr/share/nwchem/libraryps/TM/Be usr/share/nwchem/libraryps/TM/Bi usr/share/nwchem/libraryps/TM/Br usr/share/nwchem/libraryps/TM/C usr/share/nwchem/libraryps/TM/Ca usr/share/nwchem/libraryps/TM/Cd usr/share/nwchem/libraryps/TM/Cl usr/share/nwchem/libraryps/TM/Co usr/share/nwchem/libraryps/TM/Cr usr/share/nwchem/libraryps/TM/Cs usr/share/nwchem/libraryps/TM/Cu usr/share/nwchem/libraryps/TM/F usr/share/nwchem/libraryps/TM/Fe usr/share/nwchem/libraryps/TM/Fr usr/share/nwchem/libraryps/TM/Ga usr/share/nwchem/libraryps/TM/Gd usr/share/nwchem/libraryps/TM/Ge usr/share/nwchem/libraryps/TM/H usr/share/nwchem/libraryps/TM/He usr/share/nwchem/libraryps/TM/Hf usr/share/nwchem/libraryps/TM/Hg usr/share/nwchem/libraryps/TM/I usr/share/nwchem/libraryps/TM/In usr/share/nwchem/libraryps/TM/Ir usr/share/nwchem/libraryps/TM/K usr/share/nwchem/libraryps/TM/Kr usr/share/nwchem/libraryps/TM/La usr/share/nwchem/libraryps/TM/Li usr/share/nwchem/libraryps/TM/Mg usr/share/nwchem/libraryps/TM/Mn usr/share/nwchem/libraryps/TM/Mo usr/share/nwchem/libraryps/TM/N usr/share/nwchem/libraryps/TM/Na usr/share/nwchem/libraryps/TM/Nb usr/share/nwchem/libraryps/TM/Ne usr/share/nwchem/libraryps/TM/Ni usr/share/nwchem/libraryps/TM/O usr/share/nwchem/libraryps/TM/Os usr/share/nwchem/libraryps/TM/P usr/share/nwchem/libraryps/TM/Pb usr/share/nwchem/libraryps/TM/Pd usr/share/nwchem/libraryps/TM/Po usr/share/nwchem/libraryps/TM/Pt usr/share/nwchem/libraryps/TM/Pu usr/share/nwchem/libraryps/TM/Ra usr/share/nwchem/libraryps/TM/Rb usr/share/nwchem/libraryps/TM/Re usr/share/nwchem/libraryps/TM/Rh usr/share/nwchem/libraryps/TM/Rn usr/share/nwchem/libraryps/TM/Ru usr/share/nwchem/libraryps/TM/S usr/share/nwchem/libraryps/TM/Sb usr/share/nwchem/libraryps/TM/Sc usr/share/nwchem/libraryps/TM/Se usr/share/nwchem/libraryps/TM/Si usr/share/nwchem/libraryps/TM/Sn usr/share/nwchem/libraryps/TM/Sr usr/share/nwchem/libraryps/TM/Ta usr/share/nwchem/libraryps/TM/Tc usr/share/nwchem/libraryps/TM/Te usr/share/nwchem/libraryps/TM/Ti usr/share/nwchem/libraryps/TM/Tl usr/share/nwchem/libraryps/TM/U usr/share/nwchem/libraryps/TM/V usr/share/nwchem/libraryps/TM/W usr/share/nwchem/libraryps/TM/Xe usr/share/nwchem/libraryps/TM/Y usr/share/nwchem/libraryps/TM/Zn usr/share/nwchem/libraryps/TM/Zr usr/share/nwchem/libraryps/development_psps usr/share/nwchem/libraryps/development_psps/Ac usr/share/nwchem/libraryps/development_psps/Ag usr/share/nwchem/libraryps/development_psps/Am usr/share/nwchem/libraryps/development_psps/Au usr/share/nwchem/libraryps/development_psps/Bh usr/share/nwchem/libraryps/development_psps/Bk usr/share/nwchem/libraryps/development_psps/Ce usr/share/nwchem/libraryps/development_psps/Cf usr/share/nwchem/libraryps/development_psps/Cm usr/share/nwchem/libraryps/development_psps/Cn usr/share/nwchem/libraryps/development_psps/Cu usr/share/nwchem/libraryps/development_psps/Db usr/share/nwchem/libraryps/development_psps/Ds usr/share/nwchem/libraryps/development_psps/Dy usr/share/nwchem/libraryps/development_psps/Er usr/share/nwchem/libraryps/development_psps/Es usr/share/nwchem/libraryps/development_psps/Eu usr/share/nwchem/libraryps/development_psps/Fe usr/share/nwchem/libraryps/development_psps/Fm usr/share/nwchem/libraryps/development_psps/Gd usr/share/nwchem/libraryps/development_psps/Ho usr/share/nwchem/libraryps/development_psps/Hs usr/share/nwchem/libraryps/development_psps/La usr/share/nwchem/libraryps/development_psps/Lr usr/share/nwchem/libraryps/development_psps/Lu usr/share/nwchem/libraryps/development_psps/Md usr/share/nwchem/libraryps/development_psps/Mt usr/share/nwchem/libraryps/development_psps/Nd usr/share/nwchem/libraryps/development_psps/Ni usr/share/nwchem/libraryps/development_psps/No usr/share/nwchem/libraryps/development_psps/Np usr/share/nwchem/libraryps/development_psps/Pa usr/share/nwchem/libraryps/development_psps/Pm usr/share/nwchem/libraryps/development_psps/Pr usr/share/nwchem/libraryps/development_psps/Pt usr/share/nwchem/libraryps/development_psps/Pu usr/share/nwchem/libraryps/development_psps/Rf usr/share/nwchem/libraryps/development_psps/Rg usr/share/nwchem/libraryps/development_psps/Ru usr/share/nwchem/libraryps/development_psps/Sg usr/share/nwchem/libraryps/development_psps/Sm usr/share/nwchem/libraryps/development_psps/Tb usr/share/nwchem/libraryps/development_psps/Th usr/share/nwchem/libraryps/development_psps/Tm usr/share/nwchem/libraryps/development_psps/U usr/share/nwchem/libraryps/development_psps/V usr/share/nwchem/libraryps/development_psps/Yb usr/share/nwchem/libraryps/library1 usr/share/nwchem/libraryps/library1/Al usr/share/nwchem/libraryps/library1/As usr/share/nwchem/libraryps/library1/Au usr/share/nwchem/libraryps/library1/B usr/share/nwchem/libraryps/library1/Be usr/share/nwchem/libraryps/library1/C usr/share/nwchem/libraryps/library1/Cl usr/share/nwchem/libraryps/library1/Cu usr/share/nwchem/libraryps/library1/Fe usr/share/nwchem/libraryps/library1/Ga usr/share/nwchem/libraryps/library1/Ge usr/share/nwchem/libraryps/library1/H usr/share/nwchem/libraryps/library1/K usr/share/nwchem/libraryps/library1/Li usr/share/nwchem/libraryps/library1/Mg usr/share/nwchem/libraryps/library1/N usr/share/nwchem/libraryps/library1/Na usr/share/nwchem/libraryps/library1/O usr/share/nwchem/libraryps/library1/P usr/share/nwchem/libraryps/library1/Pb usr/share/nwchem/libraryps/library1/Pt usr/share/nwchem/libraryps/library1/Ru usr/share/nwchem/libraryps/library1/S usr/share/nwchem/libraryps/library1/Si usr/share/nwchem/libraryps/library1/Sr usr/share/nwchem/libraryps/library1/Ti usr/share/nwchem/libraryps/library1/Zn usr/share/nwchem/libraryps/library2 usr/share/nwchem/libraryps/library2/Al_basis usr/share/nwchem/libraryps/library2/C_basis usr/share/nwchem/libraryps/library2/Cl_basis usr/share/nwchem/libraryps/library2/Fe_basis usr/share/nwchem/libraryps/library2/Fe_basis.big usr/share/nwchem/libraryps/library2/H_basis usr/share/nwchem/libraryps/library2/O_basis usr/share/nwchem/libraryps/library2/Sc_basis usr/share/nwchem/libraryps/library2/V_basis usr/share/nwchem/libraryps/nwpw usr/share/nwchem/libraryps/nwpw_inp.fh usr/share/nwchem/libraryps/nwpw_libfile.F usr/share/nwchem/libraryps/nwpw_library.F usr/share/nwchem/libraryps/nwpw_set_library.F usr/share/nwchem/libraryps/ofpw_default usr/share/nwchem/libraryps/ofpw_default/Al usr/share/nwchem/libraryps/ofpw_default/As usr/share/nwchem/libraryps/ofpw_default/Ga usr/share/nwchem/libraryps/ofpw_default/In usr/share/nwchem/libraryps/ofpw_default/Mg usr/share/nwchem/libraryps/ofpw_default/P usr/share/nwchem/libraryps/ofpw_default/Sb usr/share/nwchem/libraryps/ofpw_default/Si usr/share/nwchem/libraryps/paw_default usr/share/nwchem/libraryps/paw_default/Al usr/share/nwchem/libraryps/paw_default/B usr/share/nwchem/libraryps/paw_default/C usr/share/nwchem/libraryps/paw_default/Ca usr/share/nwchem/libraryps/paw_default/Ce usr/share/nwchem/libraryps/paw_default/Cl usr/share/nwchem/libraryps/paw_default/Co usr/share/nwchem/libraryps/paw_default/Cr usr/share/nwchem/libraryps/paw_default/Cu usr/share/nwchem/libraryps/paw_default/Dy usr/share/nwchem/libraryps/paw_default/Er usr/share/nwchem/libraryps/paw_default/Eu usr/share/nwchem/libraryps/paw_default/F usr/share/nwchem/libraryps/paw_default/Fe usr/share/nwchem/libraryps/paw_default/Gd usr/share/nwchem/libraryps/paw_default/H usr/share/nwchem/libraryps/paw_default/Ho usr/share/nwchem/libraryps/paw_default/JUNK usr/share/nwchem/libraryps/paw_default/JUNK/Er.old usr/share/nwchem/libraryps/paw_default/JUNK/Yb.bak2 usr/share/nwchem/libraryps/paw_default/JUNK/Yb.good1 usr/share/nwchem/libraryps/paw_default/JUNK/Yb.trial1 usr/share/nwchem/libraryps/paw_default/JUNK/Yb.trial2 usr/share/nwchem/libraryps/paw_default/JUNK/Yb.trial3 usr/share/nwchem/libraryps/paw_default/Li usr/share/nwchem/libraryps/paw_default/Lu usr/share/nwchem/libraryps/paw_default/Mg usr/share/nwchem/libraryps/paw_default/Mn usr/share/nwchem/libraryps/paw_default/N usr/share/nwchem/libraryps/paw_default/Nd usr/share/nwchem/libraryps/paw_default/Ni usr/share/nwchem/libraryps/paw_default/O usr/share/nwchem/libraryps/paw_default/Pm usr/share/nwchem/libraryps/paw_default/Pr usr/share/nwchem/libraryps/paw_default/S usr/share/nwchem/libraryps/paw_default/Sc usr/share/nwchem/libraryps/paw_default/Si usr/share/nwchem/libraryps/paw_default/Sm usr/share/nwchem/libraryps/paw_default/Tb usr/share/nwchem/libraryps/paw_default/Ti usr/share/nwchem/libraryps/paw_default/Tm usr/share/nwchem/libraryps/paw_default/U usr/share/nwchem/libraryps/paw_default/V usr/share/nwchem/libraryps/paw_default/Yb usr/share/nwchem/libraryps/paw_default/Zn usr/share/nwchem/libraryps/pspw_default usr/share/nwchem/libraryps/pspw_default/Ag usr/share/nwchem/libraryps/pspw_default/Al usr/share/nwchem/libraryps/pspw_default/Ar usr/share/nwchem/libraryps/pspw_default/As usr/share/nwchem/libraryps/pspw_default/At usr/share/nwchem/libraryps/pspw_default/Au usr/share/nwchem/libraryps/pspw_default/B usr/share/nwchem/libraryps/pspw_default/Ba usr/share/nwchem/libraryps/pspw_default/Be usr/share/nwchem/libraryps/pspw_default/Bi usr/share/nwchem/libraryps/pspw_default/Br usr/share/nwchem/libraryps/pspw_default/Br.old usr/share/nwchem/libraryps/pspw_default/C usr/share/nwchem/libraryps/pspw_default/C^ usr/share/nwchem/libraryps/pspw_default/Ca usr/share/nwchem/libraryps/pspw_default/Cd usr/share/nwchem/libraryps/pspw_default/Ce usr/share/nwchem/libraryps/pspw_default/Cl usr/share/nwchem/libraryps/pspw_default/Cm usr/share/nwchem/libraryps/pspw_default/Co usr/share/nwchem/libraryps/pspw_default/Cr usr/share/nwchem/libraryps/pspw_default/Cs usr/share/nwchem/libraryps/pspw_default/Cu usr/share/nwchem/libraryps/pspw_default/Dy usr/share/nwchem/libraryps/pspw_default/Er usr/share/nwchem/libraryps/pspw_default/Eu usr/share/nwchem/libraryps/pspw_default/Eu.f_in_core usr/share/nwchem/libraryps/pspw_default/F usr/share/nwchem/libraryps/pspw_default/Fe usr/share/nwchem/libraryps/pspw_default/Fr usr/share/nwchem/libraryps/pspw_default/Ga usr/share/nwchem/libraryps/pspw_default/Ga.withsemicore usr/share/nwchem/libraryps/pspw_default/Gd usr/share/nwchem/libraryps/pspw_default/Ge usr/share/nwchem/libraryps/pspw_default/H usr/share/nwchem/libraryps/pspw_default/H^ usr/share/nwchem/libraryps/pspw_default/He usr/share/nwchem/libraryps/pspw_default/Hf usr/share/nwchem/libraryps/pspw_default/Hg usr/share/nwchem/libraryps/pspw_default/Ho usr/share/nwchem/libraryps/pspw_default/I usr/share/nwchem/libraryps/pspw_default/In usr/share/nwchem/libraryps/pspw_default/Ir usr/share/nwchem/libraryps/pspw_default/K usr/share/nwchem/libraryps/pspw_default/Kr usr/share/nwchem/libraryps/pspw_default/La usr/share/nwchem/libraryps/pspw_default/Li usr/share/nwchem/libraryps/pspw_default/Lu usr/share/nwchem/libraryps/pspw_default/Mg usr/share/nwchem/libraryps/pspw_default/Mn usr/share/nwchem/libraryps/pspw_default/Mo usr/share/nwchem/libraryps/pspw_default/N usr/share/nwchem/libraryps/pspw_default/N.new usr/share/nwchem/libraryps/pspw_default/N.old usr/share/nwchem/libraryps/pspw_default/Na usr/share/nwchem/libraryps/pspw_default/Nb usr/share/nwchem/libraryps/pspw_default/Nd usr/share/nwchem/libraryps/pspw_default/Ne usr/share/nwchem/libraryps/pspw_default/Ni usr/share/nwchem/libraryps/pspw_default/Np usr/share/nwchem/libraryps/pspw_default/O usr/share/nwchem/libraryps/pspw_default/O^ usr/share/nwchem/libraryps/pspw_default/Os usr/share/nwchem/libraryps/pspw_default/P usr/share/nwchem/libraryps/pspw_default/Pb usr/share/nwchem/libraryps/pspw_default/Pb.withd usr/share/nwchem/libraryps/pspw_default/Pd usr/share/nwchem/libraryps/pspw_default/Pm usr/share/nwchem/libraryps/pspw_default/Po usr/share/nwchem/libraryps/pspw_default/Pr usr/share/nwchem/libraryps/pspw_default/Pt usr/share/nwchem/libraryps/pspw_default/Pt.old usr/share/nwchem/libraryps/pspw_default/Pu usr/share/nwchem/libraryps/pspw_default/Pu.old usr/share/nwchem/libraryps/pspw_default/Qm usr/share/nwchem/libraryps/pspw_default/Qp usr/share/nwchem/libraryps/pspw_default/Ra usr/share/nwchem/libraryps/pspw_default/Rb usr/share/nwchem/libraryps/pspw_default/Re usr/share/nwchem/libraryps/pspw_default/Rh usr/share/nwchem/libraryps/pspw_default/Rn usr/share/nwchem/libraryps/pspw_default/Ru usr/share/nwchem/libraryps/pspw_default/S usr/share/nwchem/libraryps/pspw_default/Sb usr/share/nwchem/libraryps/pspw_default/Sc usr/share/nwchem/libraryps/pspw_default/Se usr/share/nwchem/libraryps/pspw_default/Si usr/share/nwchem/libraryps/pspw_default/Sm usr/share/nwchem/libraryps/pspw_default/Sn usr/share/nwchem/libraryps/pspw_default/Sr usr/share/nwchem/libraryps/pspw_default/Ta usr/share/nwchem/libraryps/pspw_default/Tb usr/share/nwchem/libraryps/pspw_default/Tc usr/share/nwchem/libraryps/pspw_default/Te usr/share/nwchem/libraryps/pspw_default/Th usr/share/nwchem/libraryps/pspw_default/Th.old usr/share/nwchem/libraryps/pspw_default/Ti usr/share/nwchem/libraryps/pspw_default/Tl usr/share/nwchem/libraryps/pspw_default/Tm usr/share/nwchem/libraryps/pspw_default/U usr/share/nwchem/libraryps/pspw_default/V usr/share/nwchem/libraryps/pspw_default/W usr/share/nwchem/libraryps/pspw_default/Xe usr/share/nwchem/libraryps/pspw_default/Y usr/share/nwchem/libraryps/pspw_default/Yb usr/share/nwchem/libraryps/pspw_default/Zn usr/share/nwchem/libraryps/pspw_default/Zn.old usr/share/nwchem/libraryps/pspw_default/Zr usr/share/nwchem/libraryps/pspw_new usr/share/nwchem/libraryps/pspw_new/Br usr/share/nwchem/libraryps/pspw_new/Cr usr/share/nwchem/libraryps/pspw_new/Cu usr/share/nwchem/libraryps/pspw_new/Fe usr/share/nwchem/libraryps/pspw_new/Mn usr/share/nwchem/libraryps/pspw_old usr/share/nwchem/libraryps/pspw_old/Cr usr/share/nwchem/libraryps/pspw_old/Fe usr/share/nwchem/solvents usr/share/nwchem/solvents/clfm.rst usr/share/nwchem/solvents/meoh.rst usr/share/nwchem/solvents/spce.rst usr/share/nwchem/solvents/thfs.rst usr/share/nwchem/libraries/basis usr/share/nwchem/libraryps/nwpw/libraryps