Package - nwchem

Package: nwchem
apt-get install nwchem

Documentations in package:

nwchem

Primary informations

Download package: http://deb.debian.org/debian/pool/main/n/nwchem/nwchem_7.2.3-10_all.deb (Size: 21.1KiB)

Property	Value
Package	nwchem
Version	7.2.3-10
Installed-Size	103
Maintainer	Debichem Team
Architecture	all
Depends	nwchem-openmpi \| nwchem-mpich \| nwchem-openmpi, mpi-default-bin
Description	High-performance computational chemistry software (default MPI)
Description-md5	bbd2b6cb9a9a3159b07de8b6bcb3f618
Homepage	https://nwchemgit.github.io
Tag	field::chemistry, role::program
Section	science
Priority	optional
Filename	pool/main/n/nwchem/nwchem_7.2.3-10_all.deb
Size	21644
MD5sum	0c19f1d57f7af19848e3313298c91611
SHA256	b02ec5fd9e8e31b5468c50ba780e717d8282c7e2fb21d99a76ef236e55e2523c

Files in package

/usr/share/doc/nwchem/TODO.Debian
/usr/share/doc/nwchem/changelog.Debian.gz
/usr/share/doc/nwchem/copyright
/usr/share/doc/nwchem/examples/h2o-b3lyp-disp.nw
/usr/share/doc/nwchem/examples/h2o-bhlyp.nw
/usr/share/doc/nwchem/examples/h2o-camb3lyp-pol-cdfit.nw
/usr/share/doc/nwchem/examples/h2o-camb3lyp-pol.nw
/usr/share/doc/nwchem/examples/h2o-cambeckehh.nw
/usr/share/doc/nwchem/examples/h2o-campbe0.nw
/usr/share/doc/nwchem/examples/h2o-hse-srhf.nw
/usr/share/doc/nwchem/examples/h2o-hse.nw
/usr/share/doc/nwchem/examples/h2o-lcpbe.nw
/usr/share/doc/nwchem/examples/h2o-noscf.nw
/usr/share/doc/nwchem/examples/h2o-occup-1.nw
/usr/share/doc/nwchem/examples/h2o-occup-2.nw
/usr/share/doc/nwchem/examples/h2o-response.nw
/usr/share/doc/nwchem/examples/h2o-ssb-d-b3lyp.nw
/usr/share/doc/nwchem/examples/h2o-ssb-d-opt.nw
/usr/share/doc/nwchem/examples/h2o-ssb-d.nw
/usr/share/doc/nwchem/examples/h2o-td.nw
/usr/share/doc/nwchem/examples/h2o.nw
/usr/share/doc/nwchem/examples/h2o2-prop-notrans.nw
/usr/share/doc/nwchem/examples/h2o2-response-uhf-damping.nw
/usr/share/doc/nwchem/examples/h2o2-response-uhf.nw
/usr/share/doc/nwchem/examples/h2o2-response.nw
/usr/share/doc/nwchem/examples/h2o2_fde.nw
/usr/share/doc/nwchem/examples/h2o_bnl.nw
/usr/share/doc/nwchem/examples/h2o_bnl2007_tddft.nw
/usr/share/doc/nwchem/examples/h2o_ccca.nw
/usr/share/doc/nwchem/examples/h2o_cg_opt.nw
/usr/share/doc/nwchem/examples/h2o_cg_opt_rob3lyp.nw
/usr/share/doc/nwchem/examples/h2o_cg_opt_ub3lyp.nw
/usr/share/doc/nwchem/examples/h2o_cg_to_diag.nw
/usr/share/doc/nwchem/examples/h2o_cg_to_diag_ub3lyp.nw
/usr/share/doc/nwchem/examples/h2o_core.nw
/usr/share/doc/nwchem/examples/h2o_core_hole.nw
/usr/share/doc/nwchem/examples/h2o_core_hole_repop.nw
/usr/share/doc/nwchem/examples/h2o_dft.nw
/usr/share/doc/nwchem/examples/h2o_dftmp2.nw
/usr/share/doc/nwchem/examples/h2o_dftmp2_cgmin.nw
/usr/share/doc/nwchem/examples/h2o_diag_opt.nw
/usr/share/doc/nwchem/examples/h2o_diag_opt_ub3lyp.nw
/usr/share/doc/nwchem/examples/h2o_diag_to_cg.nw
/usr/share/doc/nwchem/examples/h2o_diag_to_cg_ub3lyp.nw
/usr/share/doc/nwchem/examples/h2o_dk.nw
/usr/share/doc/nwchem/examples/h2o_fixed.nw
/usr/share/doc/nwchem/examples/h2o_frozemb.nw
/usr/share/doc/nwchem/examples/h2o_hcons.nw
/usr/share/doc/nwchem/examples/h2o_opt.nw
/usr/share/doc/nwchem/examples/h2o_opt_simint.nw
/usr/share/doc/nwchem/examples/h2o_raman_1.nw
/usr/share/doc/nwchem/examples/h2o_raman_2.nw
/usr/share/doc/nwchem/examples/h2o_raman_3.nw
/usr/share/doc/nwchem/examples/h2o_raman_4.nw
/usr/share/doc/nwchem/examples/h2o_raman_5.nw
/usr/share/doc/nwchem/examples/h2o_rodft.nw
/usr/share/doc/nwchem/examples/h2o_rpbe0_cg.nw
/usr/share/doc/nwchem/examples/h2o_scf.nw
/usr/share/doc/nwchem/examples/h2o_selci.nw
/usr/share/doc/nwchem/examples/h2o_ub3lyp_cg.nw
/usr/share/doc/nwchem/examples/h2o_udftmp2.nw
/usr/share/doc/nwchem/examples/h2o_udftmp2_cgmin.nw
/usr/share/doc/nwchem/examples/h2o_vscf.nw
/usr/share/doc/nwchem/examples/h2o_zts.nw
/usr/share/lintian/overrides/nwchem