Vitor Hideyoshi 63d3d5f40d SetGlobas Translation - Final (without ghosts and lp) ...

Internal methods translations: read_potential, print_potential

Signed-off-by: Vitor Hideyoshi <vitor.h.n.batista@gmail.com>

2021-12-06 21:20:34 -03:00

.vscode

Initial work in the Molecule and Atom class

2021-12-06 21:20:33 -03:00

DPpack

SetGlobas Translation - Final (without ghosts and lp)

2021-12-06 21:20:34 -03:00

.control.in.swp

v0.0.1

2021-12-06 21:20:32 -03:00

control.in

v0.0.1

2021-12-06 21:20:32 -03:00

diceplayer.py

Initial work in the Molecule and Atom class

2021-12-06 21:20:33 -03:00

geoms.xyz

v0.0.1

2021-12-06 21:20:32 -03:00

ghosts.in

v0.0.1

2021-12-06 21:20:32 -03:00

lps.in

v0.0.1

2021-12-06 21:20:32 -03:00

new_cyclo.xyz

v0.0.1

2021-12-06 21:20:32 -03:00

new_cyclo.xyz.new

v0.0.1

2021-12-06 21:20:32 -03:00

new_cyclo.xyz.new2

v0.0.1

2021-12-06 21:20:32 -03:00

othercontrol.in

v0.0.1

2021-12-06 21:20:32 -03:00

phb.pot

v0.0.1

2021-12-06 21:20:32 -03:00

phb.xyz.last-p01

v0.0.1

2021-12-06 21:20:32 -03:00

phb.xyz.last-p02

v0.0.1

2021-12-06 21:20:32 -03:00

run.log

v0.0.1

2021-12-06 21:20:32 -03:00

test4.py

v0.0.1

2021-12-06 21:20:32 -03:00

Description

Python Program for Molecular Optimization in Non-Vacuum Mediums

gaussian16python

751 KiB

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