Adding a few more chemistry related codes
f5fa52c67f36
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Authored by ddossant on Sep 15 2015, 13:44.

Description

Adding a few more chemistry related codes

Committed

ddossant

Sep 15 2015, 13:44

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• rezzonico

Jun 17 2016, 10:15

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rSCEXAMPLES8fd424392d58: ParaView

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Daniel Filipe Jana <ddossant@deneb2.(none)> committed rSCEXAMPLESf5fa52c67f36: Adding a few more chemistry related codes (authored by Daniel Filipe Jana <ddossant@deneb2.(none)>).Sep 15 2015, 13:44

		Path
A	(dir)	Modules/cp2k/
A		Modules/cp2k/BASIS_SET
A		Modules/cp2k/GTH_POTENTIALS
P		Modules/cp2k/README Copied from Modules/gaussian/README
A		Modules/cp2k/job.cp2k.slurm
A		Modules/cp2k/test.inp
A	(dir)	Modules/cpmd/
A		Modules/cpmd/C_MT_PBE
A		Modules/cpmd/GEOMETRY
A		Modules/cpmd/H_MT_PBE
A		Modules/cpmd/N_MT_PBE
A		Modules/cpmd/O_MT_PBE
P		Modules/cpmd/README Copied from Modules/gaussian/README
A		Modules/cpmd/job.cpmd.slurm
A		Modules/cpmd/test.inp
A		Modules/cpmd/test.out
A	(dir)	Modules/molpro/
A		Modules/molpro/README
A		Modules/molpro/job.molpro.slurm
A		Modules/molpro/test.inp
A		Modules/molpro/test_big.inp
A	(dir)	Modules/vasp/
A		Modules/vasp/README
A	(dir)	Modules/vasp/test/
A		Modules/vasp/test/INCAR
A		Modules/vasp/test/KPOINTS
A		Modules/vasp/test/POSCAR
A		Modules/vasp/test/POTCAR
A		Modules/vasp/test/job.vasp.slurm