cp2k-data (2025.2-3)
Details
Core information at a glance
- Distribution
- ubuntu
- Origin
- ubuntu-stonking
- Repository
- https://nl.archive.ubuntu.com/ubuntu
- Codename
- stonking
- Component
- universe
- Source
- cp2k
- Architecture
- amd64v3
- Section
- universe/science
- Priority
- optional
- Maintainer
- Ubuntu Developers <[email protected]>
Size & integrity
Byte sizes and integrity verification
- Installed size
- 310.2 kB
- Size expected
- 28.7 MB
- Size actual
- 28.7 MB
- Size match
Dependencies
Required package dependencies
- None
Suggested packages
Recommended additional packages
- None
Description
Ab Initio Molecular Dynamics (data files)
Tags
Package classification tags
None
Checksums
Hash values and integrity verification status
| Type | Actual | Match |
|---|---|---|
| MD5 | 129ccfed…68bdc2fc | |
| SHA-1 | 2e73d3a9…2b617fdc | |
| SHA-256 | 34d0e0dc…3114fb7c | |
| SHA-512 | 972319f7…a61b8f27 |
Contents
Files and directories included
. usr usr/share usr/share/cp2k usr/share/cp2k/ALL_BASIS_SETS usr/share/cp2k/ALL_POTENTIALS usr/share/cp2k/AcPP1_POTENTIALS usr/share/cp2k/AcPP2_POTENTIALS usr/share/cp2k/Allegro usr/share/cp2k/Allegro/gra-water-deployed-neq060sp.pth usr/share/cp2k/Allegro/si-deployed-neq060dp.pth usr/share/cp2k/BASIS_ADMM usr/share/cp2k/BASIS_ADMM_MOLOPT usr/share/cp2k/BASIS_ADMM_UZH usr/share/cp2k/BASIS_ADMM_ae usr/share/cp2k/BASIS_LRIGPW_AUXMOLOPT usr/share/cp2k/BASIS_MINBAS usr/share/cp2k/BASIS_MINIX usr/share/cp2k/BASIS_MOLOPT usr/share/cp2k/BASIS_MOLOPT_AcPP1 usr/share/cp2k/BASIS_MOLOPT_AcPP2 usr/share/cp2k/BASIS_MOLOPT_LnPP1 usr/share/cp2k/BASIS_MOLOPT_LnPP2 usr/share/cp2k/BASIS_MOLOPT_PSI usr/share/cp2k/BASIS_MOLOPT_UCL usr/share/cp2k/BASIS_MOLOPT_UZH usr/share/cp2k/BASIS_PERIODIC_GW usr/share/cp2k/BASIS_RI_MOLOPT usr/share/cp2k/BASIS_RI_cc-TZ usr/share/cp2k/BASIS_SET usr/share/cp2k/BASIS_ZIJLSTRA usr/share/cp2k/BASIS_ccGRB_UZH usr/share/cp2k/BASIS_def2_QZVP_RI_ALL usr/share/cp2k/BASIS_pob usr/share/cp2k/DFTB usr/share/cp2k/DFTB/nonscc usr/share/cp2k/DFTB/nonscc/bb usr/share/cp2k/DFTB/nonscc/bc usr/share/cp2k/DFTB/nonscc/bh usr/share/cp2k/DFTB/nonscc/bn usr/share/cp2k/DFTB/nonscc/cb usr/share/cp2k/DFTB/nonscc/cc usr/share/cp2k/DFTB/nonscc/cf usr/share/cp2k/DFTB/nonscc/ch usr/share/cp2k/DFTB/nonscc/clcl_exp usr/share/cp2k/DFTB/nonscc/clk_exp usr/share/cp2k/DFTB/nonscc/clli_exp usr/share/cp2k/DFTB/nonscc/clna_exp usr/share/cp2k/DFTB/nonscc/cn usr/share/cp2k/DFTB/nonscc/co usr/share/cp2k/DFTB/nonscc/csc usr/share/cp2k/DFTB/nonscc/csi usr/share/cp2k/DFTB/nonscc/fc usr/share/cp2k/DFTB/nonscc/ff usr/share/cp2k/DFTB/nonscc/fh usr/share/cp2k/DFTB/nonscc/hb usr/share/cp2k/DFTB/nonscc/hh usr/share/cp2k/DFTB/nonscc/hh0 usr/share/cp2k/DFTB/nonscc/kcl_exp usr/share/cp2k/DFTB/nonscc/kk_exp usr/share/cp2k/DFTB/nonscc/licl_exp usr/share/cp2k/DFTB/nonscc/lili_exp usr/share/cp2k/DFTB/nonscc/momo usr/share/cp2k/DFTB/nonscc/mos usr/share/cp2k/DFTB/nonscc/nacl_exp usr/share/cp2k/DFTB/nonscc/nana_exp usr/share/cp2k/DFTB/nonscc/nb usr/share/cp2k/DFTB/nonscc/nbnb usr/share/cp2k/DFTB/nonscc/nbs usr/share/cp2k/DFTB/nonscc/nc usr/share/cp2k/DFTB/nonscc/nh usr/share/cp2k/DFTB/nonscc/nn usr/share/cp2k/DFTB/nonscc/no usr/share/cp2k/DFTB/nonscc/nonscc_parameter usr/share/cp2k/DFTB/nonscc/nsc usr/share/cp2k/DFTB/nonscc/nsi usr/share/cp2k/DFTB/nonscc/oc usr/share/cp2k/DFTB/nonscc/oh usr/share/cp2k/DFTB/nonscc/on usr/share/cp2k/DFTB/nonscc/oo usr/share/cp2k/DFTB/nonscc/osi usr/share/cp2k/DFTB/nonscc/osi-d usr/share/cp2k/DFTB/nonscc/pp usr/share/cp2k/DFTB/nonscc/scc usr/share/cp2k/DFTB/nonscc/scn usr/share/cp2k/DFTB/nonscc/scsc usr/share/cp2k/DFTB/nonscc/sic usr/share/cp2k/DFTB/nonscc/sih usr/share/cp2k/DFTB/nonscc/sih-d usr/share/cp2k/DFTB/nonscc/sin usr/share/cp2k/DFTB/nonscc/sio usr/share/cp2k/DFTB/nonscc/sio-d usr/share/cp2k/DFTB/nonscc/sisi usr/share/cp2k/DFTB/nonscc/sisi-d usr/share/cp2k/DFTB/nonscc/smo usr/share/cp2k/DFTB/nonscc/snb usr/share/cp2k/DFTB/nonscc/ss usr/share/cp2k/DFTB/scc usr/share/cp2k/DFTB/scc/cc.spl usr/share/cp2k/DFTB/scc/ch.spl usr/share/cp2k/DFTB/scc/cn.spl usr/share/cp2k/DFTB/scc/co.spl usr/share/cp2k/DFTB/scc/cp.spl usr/share/cp2k/DFTB/scc/cs.spl usr/share/cp2k/DFTB/scc/czn.spl usr/share/cp2k/DFTB/scc/hc.spl usr/share/cp2k/DFTB/scc/hh.spl usr/share/cp2k/DFTB/scc/hn.spl usr/share/cp2k/DFTB/scc/ho.spl usr/share/cp2k/DFTB/scc/ho_modi.spl usr/share/cp2k/DFTB/scc/hp.spl usr/share/cp2k/DFTB/scc/hs.spl usr/share/cp2k/DFTB/scc/hzn.spl usr/share/cp2k/DFTB/scc/nc.spl usr/share/cp2k/DFTB/scc/nh.spl usr/share/cp2k/DFTB/scc/nn.spl usr/share/cp2k/DFTB/scc/no.spl usr/share/cp2k/DFTB/scc/np.spl usr/share/cp2k/DFTB/scc/ns.spl usr/share/cp2k/DFTB/scc/nzn.spl usr/share/cp2k/DFTB/scc/oc.spl usr/share/cp2k/DFTB/scc/oh.spl usr/share/cp2k/DFTB/scc/oh_modi.spl usr/share/cp2k/DFTB/scc/on.spl usr/share/cp2k/DFTB/scc/oo.spl usr/share/cp2k/DFTB/scc/oo_modi.spl usr/share/cp2k/DFTB/scc/op.spl usr/share/cp2k/DFTB/scc/os.spl usr/share/cp2k/DFTB/scc/ozn.spl usr/share/cp2k/DFTB/scc/pc.spl usr/share/cp2k/DFTB/scc/ph.spl usr/share/cp2k/DFTB/scc/pn.spl usr/share/cp2k/DFTB/scc/po.spl usr/share/cp2k/DFTB/scc/pp.spl usr/share/cp2k/DFTB/scc/ps.spl usr/share/cp2k/DFTB/scc/sc.spl usr/share/cp2k/DFTB/scc/scc_parameter usr/share/cp2k/DFTB/scc/sh.spl usr/share/cp2k/DFTB/scc/sn.spl usr/share/cp2k/DFTB/scc/so.spl usr/share/cp2k/DFTB/scc/sp.spl usr/share/cp2k/DFTB/scc/ss.spl usr/share/cp2k/DFTB/scc/szn.spl usr/share/cp2k/DFTB/scc/uff_table usr/share/cp2k/DFTB/scc/znc.spl usr/share/cp2k/DFTB/scc/znh.spl usr/share/cp2k/DFTB/scc/znn.spl usr/share/cp2k/DFTB/scc/zno.spl usr/share/cp2k/DFTB/scc/zns.spl usr/share/cp2k/DFTB/scc/znzn.spl usr/share/cp2k/DFTB/uff_table usr/share/cp2k/DeePMD usr/share/cp2k/DeePMD/water_dpa2.pth usr/share/cp2k/ECP_POTENTIALS usr/share/cp2k/ECP_POTENTIALS_pob-TZVP-rev2 usr/share/cp2k/EMSL_BASIS_SETS usr/share/cp2k/GTH_BASIS_SETS usr/share/cp2k/GTH_POTENTIALS usr/share/cp2k/GTH_SOC_POTENTIALS usr/share/cp2k/HFX_BASIS usr/share/cp2k/HF_POTENTIALS usr/share/cp2k/LnPP1_POTENTIALS usr/share/cp2k/LnPP2_POTENTIALS usr/share/cp2k/MM_POTENTIAL usr/share/cp2k/NLCC_POTENTIALS usr/share/cp2k/NNP usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/README.md usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-1 usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-1/input.nn usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-1/scaling.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-1/weights.001.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-1/weights.008.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-2 usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-2/input.nn usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-2/scaling.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-2/weights.001.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-2/weights.008.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-3 usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-3/input.nn usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-3/scaling.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-3/weights.001.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-3/weights.008.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-4 usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-4/input.nn usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-4/scaling.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-4/weights.001.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-4/weights.008.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-5 usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-5/input.nn usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-5/scaling.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-5/weights.001.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-5/weights.008.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-6 usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-6/input.nn usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-6/scaling.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-6/weights.001.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-6/weights.008.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-7 usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-7/input.nn usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-7/scaling.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-7/weights.001.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-7/weights.008.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-8 usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-8/input.nn usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-8/scaling.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-8/weights.001.data usr/share/cp2k/NNP/bulkH2O-jcp2020-cnnp/nnp-8/weights.008.data usr/share/cp2k/NNP/protH2OHelium-interaction-nnp usr/share/cp2k/NNP/protH2OHelium-interaction-nnp/input.nn usr/share/cp2k/NNP/protH2OHelium-interaction-nnp/readme.md usr/share/cp2k/NNP/protH2OHelium-interaction-nnp/scaling.data usr/share/cp2k/NNP/protH2OHelium-interaction-nnp/weights.001.data usr/share/cp2k/NNP/protH2OHelium-interaction-nnp/weights.002.data usr/share/cp2k/NNP/protH2OHelium-interaction-nnp/weights.008.data usr/share/cp2k/NNP/protH2Ocluster-jctc2020-nnp usr/share/cp2k/NNP/protH2Ocluster-jctc2020-nnp/input.nn usr/share/cp2k/NNP/protH2Ocluster-jctc2020-nnp/readme.md usr/share/cp2k/NNP/protH2Ocluster-jctc2020-nnp/scaling.data usr/share/cp2k/NNP/protH2Ocluster-jctc2020-nnp/weights.001.data usr/share/cp2k/NNP/protH2Ocluster-jctc2020-nnp/weights.008.data usr/share/cp2k/NequIP usr/share/cp2k/NequIP/water-deployed-neq060dp.pth usr/share/cp2k/NequIP/water-deployed-neq060sp.pth usr/share/cp2k/POTENTIAL usr/share/cp2k/POTENTIAL_UZH usr/share/cp2k/README.md usr/share/cp2k/dftd3.dat usr/share/cp2k/forcefield_section usr/share/cp2k/forcefield_section/H2O usr/share/cp2k/forcefield_section/H2O/SPC.sec usr/share/cp2k/forcefield_section/H2O/SPCE.sec usr/share/cp2k/forcefield_section/H2O/TIP3P.sec usr/share/cp2k/forcefield_section/H2O/TIP3P_FLEXIBLE.sec usr/share/cp2k/forcefield_section/UO2 usr/share/cp2k/forcefield_section/UO2/Meis2.sec usr/share/cp2k/forcefield_section/UO2/Meis2_k4.sec usr/share/cp2k/forcefield_section/UO2/Morelon.sec usr/share/cp2k/nm12_parameters.xml usr/share/cp2k/rVV10_kernel_table.dat usr/share/cp2k/t_c_g.dat usr/share/cp2k/t_sh_p_s_c.dat usr/share/cp2k/vdW_kernel_table.dat usr/share/cp2k/xTB0_parameters usr/share/cp2k/xTB1_parameters usr/share/cp2k/xc_section usr/share/cp2k/xc_section/CAM-B3LYP.sec usr/share/cp2k/xc_section/HF-3c.sec usr/share/cp2k/xc_section/PBE.sec usr/share/cp2k/xc_section/WB97X_2LP.sec usr/share/cp2k/xc_section/WB97X_2TQZ.sec usr/share/cp2k/xc_section/vdW-DF-cx.sec usr/share/cp2k/xc_section/vdW-DF-cx0p.sec usr/share/cp2k/xc_section/vdW-DF-optB88.sec usr/share/cp2k/xc_section/vdW-DF-optPBE.sec usr/share/cp2k/xc_section/vdW-DF1-C09.sec usr/share/cp2k/xc_section/vdW-DF1.sec usr/share/cp2k/xc_section/vdW-DF2-b86r.sec usr/share/cp2k/xc_section/vdW-DF2.sec usr/share/doc usr/share/doc/cp2k usr/share/doc/cp2k/html usr/share/doc/cp2k/html/.buildinfo usr/share/doc/cp2k/html/CP2K_INPUT usr/share/doc/cp2k/html/CP2K_INPUT/ATOM usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/AE_BASIS usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/AE_BASIS/BASIS.html usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/AE_BASIS.html usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/EXTERNAL_VXC.html usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/ADIABATIC_RESCALING.html usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/GCP_POTENTIAL.html usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/HF_INFO usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/HF_INFO/EACH.html usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/HF_INFO.html usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/INTERACTION_POTENTIAL.html usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/LOAD_BALANCE usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/LOAD_BALANCE/PRINT usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/LOAD_BALANCE/PRINT/EACH.html usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/LOAD_BALANCE/PRINT.html usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/LOAD_BALANCE.html usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/MEMORY.html usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/PERIODIC.html usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/RI usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/RI/PRINT usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/RI/PRINT/RI_DENSITY_COEFFS usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/RI/PRINT/RI_DENSITY_COEFFS/EACH.html usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/RI/PRINT/RI_DENSITY_COEFFS.html usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/RI/PRINT/RI_INFO usr/share/doc/cp2k/html/CP2K_INPUT/ATOM/METHOD/XC/HF/RI/PRINT/RI_INFO/EACH.html 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