molds (0.3.1-2)

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
none
Architecture
i386
Section
science
Priority
optional
Maintainer
Debichem Team <[email protected]>

Size & integrity

Byte sizes and integrity verification

Installed size
1.6 kB
Size expected
421.6 kB
Size actual
421.6 kB
Size match

Dependencies

Required package dependencies

  • libboost-mpi1.83.0 (>= 1.83.0)
  • libboost-serialization1.83.0 (>= 1.83.0)
  • libboost-thread1.83.0 (>= 1.83.0)
  • libc6 (>= 2.38)
  • libgcc-s1 (>= 3.0)
  • libgomp1 (>= 6)
  • liblapacke (>= 3.12.0)
  • libmpich12
  • libopenblas0
  • libstdc++6 (>= 14)

Suggested packages

Recommended additional packages

  • None

Description

Semi-empirical electronic structure and molecular dynamics

Homepage Download .deb

Tags

Package classification tags

None

Checksums

Hash values and integrity verification status

TypeActualMatch
MD5d80d68de…ae952d24
SHA-19294dad9…01fdc418
SHA-2561ca14dec…8193a45f
SHA-51239188511…2d0e10b2

Contents

Files and directories included

.
usr
usr/bin
usr/bin/molds
usr/share
usr/share/doc
usr/share/doc/molds
usr/share/doc/molds/README.txt.gz
usr/share/doc/molds/changelog.Debian.gz
usr/share/doc/molds/copyright
usr/share/doc/molds/examples
usr/share/doc/molds/examples/ch4_am1.in
usr/share/doc/molds/examples/ch4_am1_davidsonCIS_singlet.in
usr/share/doc/molds/examples/ch4_am1_directCIS_singlet.in
usr/share/doc/molds/examples/ch4_cndo2.in
usr/share/doc/molds/examples/ch4_indo.in
usr/share/doc/molds/examples/ch4_mndo.in
usr/share/doc/molds/examples/ch4_mndo_davidsonCIS_singlet.in
usr/share/doc/molds/examples/ch4_mndo_directCIS_singlet.in
usr/share/doc/molds/examples/ch4_pm3.in
usr/share/doc/molds/examples/ch4_pm3_davidsonCIS_singlet.in
usr/share/doc/molds/examples/ch4_pm3_directCIS_singlet.in
usr/share/doc/molds/examples/ch4_zindos_davidsonCIS_singlet.in
usr/share/doc/molds/examples/ch4_zindos_directCIS_singlet.in
usr/share/doc/molds/examples/h2o_zindos_directCIS_singlet.in
usr/share/doc/molds/examples/h2s_cndo2.in
usr/share/doc/molds/examples/h2s_zindos_davidsonCIS_singlet.in
usr/share/doc/molds/examples/h2s_zindos_directCIS_singlet.in
usr/share/lintian
usr/share/lintian/overrides
usr/share/lintian/overrides/molds
usr/bin/MolDS.out