Package - openmolcas-data

Package: openmolcas-data
apt-get install openmolcas-data

Primary informations

Download package: http://deb.debian.org/debian/pool/main/o/openmolcas/openmolcas-data_25.02-2_all.deb (Size: 13.5MiB)

Property	Value
Package	openmolcas-data
Source	openmolcas
Version	25.02-2
Installed-Size	88968
Maintainer	Debichem Team
Architecture	all
Description	Quantum chemistry software package (data files)
Description-md5	c654fc6edad78e8dc515a61b5b348b18
Homepage	https://gitlab.com/Molcas/OpenMolcas
Section	science
Priority	optional
Filename	pool/main/o/openmolcas/openmolcas-data_25.02-2_all.deb
Size	14125748
MD5sum	9324edb93f51ec2b2823e86904695289
SHA256	5faedaed07c58a81a24af798fa490e9735c5cdd21c45631679c7cf83a95cf269

Files in package

/usr/share/doc/openmolcas-data/changelog.Debian.gz
/usr/share/doc/openmolcas-data/copyright
/usr/share/openmolcas/.molcashome
/usr/share/openmolcas/.molcasversion
/usr/share/openmolcas/CONTRIBUTORS.md
/usr/share/openmolcas/LICENSE
/usr/share/openmolcas/basis_library/3-21G
/usr/share/openmolcas/basis_library/4-31G
/usr/share/openmolcas/basis_library/5-21G
/usr/share/openmolcas/basis_library/6-311Gpp
/usr/share/openmolcas/basis_library/6-31G
/usr/share/openmolcas/basis_library/6-31Gpp
/usr/share/openmolcas/basis_library/AHLRICHS_VDZ
/usr/share/openmolcas/basis_library/AHLRICHS_VTZ
/usr/share/openmolcas/basis_library/AIMP.README
/usr/share/openmolcas/basis_library/ANO-DK3
/usr/share/openmolcas/basis_library/ANO-L
/usr/share/openmolcas/basis_library/ANO-ORCA
/usr/share/openmolcas/basis_library/ANO-R
/usr/share/openmolcas/basis_library/ANO-RCC
/usr/share/openmolcas/basis_library/ANO-RCC.README
/usr/share/openmolcas/basis_library/ANO-S
/usr/share/openmolcas/basis_library/ANO-XS
/usr/share/openmolcas/basis_library/AUG-CC-PV5Z
/usr/share/openmolcas/basis_library/AUG-CC-PV6Z
/usr/share/openmolcas/basis_library/AUG-CC-PVDZ
/usr/share/openmolcas/basis_library/AUG-CC-PVQZ
/usr/share/openmolcas/basis_library/AUG-CC-PVTZ
/usr/share/openmolcas/basis_library/AUG-PC-0
/usr/share/openmolcas/basis_library/AUG-PC-1
/usr/share/openmolcas/basis_library/AUG-PC-2
/usr/share/openmolcas/basis_library/AUG-PC-3
/usr/share/openmolcas/basis_library/AUG-PC-4
/usr/share/openmolcas/basis_library/CC-PV5Z
/usr/share/openmolcas/basis_library/CC-PV5Z-DK
/usr/share/openmolcas/basis_library/CC-PVDZ
/usr/share/openmolcas/basis_library/CC-PVDZ-DK
/usr/share/openmolcas/basis_library/CC-PVQZ
/usr/share/openmolcas/basis_library/CC-PVQZ-DK
/usr/share/openmolcas/basis_library/CC-PVTZ
/usr/share/openmolcas/basis_library/CC-PVTZ-DK
/usr/share/openmolcas/basis_library/CC-PWCV5Z-DK
/usr/share/openmolcas/basis_library/CC-PWCVQZ-DK
/usr/share/openmolcas/basis_library/CC-PWCVTZ-DK
/usr/share/openmolcas/basis_library/CG-AIMP
/usr/share/openmolcas/basis_library/DEF-SV-P
/usr/share/openmolcas/basis_library/DEF-SVP
/usr/share/openmolcas/basis_library/DEF-TZVP
/usr/share/openmolcas/basis_library/DEF2-SVP
/usr/share/openmolcas/basis_library/DEF2-TZVP
/usr/share/openmolcas/basis_library/DEF2-TZVPP
/usr/share/openmolcas/basis_library/EMB-AIMP
/usr/share/openmolcas/basis_library/JGAUSS-DZP
/usr/share/openmolcas/basis_library/LANL2DZ
/usr/share/openmolcas/basis_library/LANL2DZ_NL
/usr/share/openmolcas/basis_library/MCP-AQZP
/usr/share/openmolcas/basis_library/MCP-ATZP
/usr/share/openmolcas/basis_library/MCP-DZP
/usr/share/openmolcas/basis_library/MCP-QZP
/usr/share/openmolcas/basis_library/MCP-TZP
/usr/share/openmolcas/basis_library/MUONIC
/usr/share/openmolcas/basis_library/NP-AIMP
/usr/share/openmolcas/basis_library/NR-AIMP
/usr/share/openmolcas/basis_library/PC-0
/usr/share/openmolcas/basis_library/PC-1
/usr/share/openmolcas/basis_library/PC-2
/usr/share/openmolcas/basis_library/PC-3
/usr/share/openmolcas/basis_library/PC-4
/usr/share/openmolcas/basis_library/QRPLIB
/usr/share/openmolcas/basis_library/RAF-R
/usr/share/openmolcas/basis_library/RYDBERG
/usr/share/openmolcas/basis_library/SADLEJ_PVTZ
/usr/share/openmolcas/basis_library/SARC2-QZVP-DKH2
/usr/share/openmolcas/basis_library/STO-3G
/usr/share/openmolcas/basis_library/STUTTGART
/usr/share/openmolcas/basis_library/STUTTGART_NL
/usr/share/openmolcas/basis_library/basis.tbl
/usr/share/openmolcas/basis_library/basistype.tbl
/usr/share/openmolcas/basis_library/c_Basis/DEF-SV-P
/usr/share/openmolcas/basis_library/c_Basis/DEF-SVP
/usr/share/openmolcas/basis_library/c_Basis/DEF-TZVP
/usr/share/openmolcas/basis_library/c_Basis/basis.tbl
/usr/share/openmolcas/basis_library/c_Basis/basistype.tbl
/usr/share/openmolcas/basis_library/c_Basis/trans.tbl
/usr/share/openmolcas/basis_library/j_Basis/DEF-SV-P
/usr/share/openmolcas/basis_library/j_Basis/DEF-SVP
/usr/share/openmolcas/basis_library/j_Basis/DEF-TZVP
/usr/share/openmolcas/basis_library/j_Basis/basis.tbl
/usr/share/openmolcas/basis_library/j_Basis/basistype.tbl
/usr/share/openmolcas/basis_library/j_Basis/trans.tbl
/usr/share/openmolcas/basis_library/jk_Basis/CC-PVTZ
/usr/share/openmolcas/basis_library/jk_Basis/DEF-SV-P
/usr/share/openmolcas/basis_library/jk_Basis/DEF-SVP
/usr/share/openmolcas/basis_library/jk_Basis/basis.tbl
/usr/share/openmolcas/basis_library/jk_Basis/basistype.tbl
/usr/share/openmolcas/basis_library/jk_Basis/trans.tbl
/usr/share/openmolcas/basis_library/trans.tbl
/usr/share/openmolcas/data/MolGUI.prgm
/usr/share/openmolcas/data/abdata
/usr/share/openmolcas/data/alaska.prgm
/usr/share/openmolcas/data/averd.prgm
/usr/share/openmolcas/data/banner.txt
/usr/share/openmolcas/data/caspt2.prgm
/usr/share/openmolcas/data/casvb.prgm
/usr/share/openmolcas/data/ccsdt.prgm
/usr/share/openmolcas/data/chcc.prgm
/usr/share/openmolcas/data/check.prgm
/usr/share/openmolcas/data/cht3.prgm
/usr/share/openmolcas/data/cpf.prgm
/usr/share/openmolcas/data/dmrgscf.prgm
/usr/share/openmolcas/data/dynamix.prgm
/usr/share/openmolcas/data/espf.prgm
/usr/share/openmolcas/data/expbas.prgm
/usr/share/openmolcas/data/extf.prgm
/usr/share/openmolcas/data/false.prgm
/usr/share/openmolcas/data/ffpt.prgm
/usr/share/openmolcas/data/functionals.txt
/usr/share/openmolcas/data/gateway.prgm
/usr/share/openmolcas/data/genano.prgm
/usr/share/openmolcas/data/global.prgm
/usr/share/openmolcas/data/grid_it.prgm
/usr/share/openmolcas/data/guessorb.prgm
/usr/share/openmolcas/data/guga.prgm
/usr/share/openmolcas/data/gugaci.prgm
/usr/share/openmolcas/data/gugadrt.prgm
/usr/share/openmolcas/data/inporb_files.prgm
/usr/share/openmolcas/data/inputs.tpl
/usr/share/openmolcas/data/isotope_data.txt
/usr/share/openmolcas/data/keyword.db
/usr/share/openmolcas/data/keyword.xml
/usr/share/openmolcas/data/landing.txt
/usr/share/openmolcas/data/last_energy.prgm
/usr/share/openmolcas/data/level.prgm
/usr/share/openmolcas/data/localisation.prgm
/usr/share/openmolcas/data/loprop.prgm
/usr/share/openmolcas/data/mbpt2.prgm
/usr/share/openmolcas/data/mckinley.prgm
/usr/share/openmolcas/data/mclr.prgm
/usr/share/openmolcas/data/mcpdft.prgm
/usr/share/openmolcas/data/modalias.txt
/usr/share/openmolcas/data/motra.prgm
/usr/share/openmolcas/data/mpprop.prgm
/usr/share/openmolcas/data/mpssi.prgm
/usr/share/openmolcas/data/mrci.prgm
/usr/share/openmolcas/data/mula.prgm
/usr/share/openmolcas/data/nevpt2.prgm
/usr/share/openmolcas/data/numerical_gradient.prgm
/usr/share/openmolcas/data/poly_aniso.prgm
/usr/share/openmolcas/data/qmstat.prgm
/usr/share/openmolcas/data/quater.prgm
/usr/share/openmolcas/data/rasscf.prgm
/usr/share/openmolcas/data/rassi.prgm
/usr/share/openmolcas/data/rcodes.txt
/usr/share/openmolcas/data/rhodyn.prgm
/usr/share/openmolcas/data/rpa.prgm
/usr/share/openmolcas/data/rysrw
/usr/share/openmolcas/data/scf.prgm
/usr/share/openmolcas/data/seward.prgm
/usr/share/openmolcas/data/single_aniso.prgm
/usr/share/openmolcas/data/slapaf.prgm
/usr/share/openmolcas/data/surfacehop.prgm
/usr/share/openmolcas/data/symmetrize.prgm
/usr/share/openmolcas/data/vibrot.prgm
/usr/share/openmolcas/data/wfa.prgm
/usr/share/openmolcas/molcas.rte
/usr/share/openmolcas/test/additional/.all
/usr/share/openmolcas/test/additional/.critical
/usr/share/openmolcas/test/additional/.default
/usr/share/openmolcas/test/additional/.official
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