Vitor Hideyoshi Nakazone Batista 316acf4761 SetGlobas/MolHandling(fixes)/DicePlayer Translation ...

Fixed Numerus functions in the SetGlobals file and MolHandling, translated DicePlayer and tested till printing of initial geometry for cyc==1

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/MolHandling(fixes)/DicePlayer Translation

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

.control.in.swp

v0.0.1

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control.in

SetGlobas/MolHandling(fixes)/DicePlayer Translation

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diceplayer.py

SetGlobas/MolHandling(fixes)/DicePlayer Translation

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geoms.xyz

v0.0.1

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ghosts.in

v0.0.1

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lps.in

v0.0.1

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new_cyclo.xyz

v0.0.1

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new_cyclo.xyz.new

v0.0.1

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new_cyclo.xyz.new2

v0.0.1

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othercontrol.in

v0.0.1

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phb.pot

v0.0.1

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phb.xyz.last-p01

v0.0.1

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phb.xyz.last-p02

v0.0.1

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run.log

SetGlobas/MolHandling(fixes)/DicePlayer Translation

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

run.log.backup

SetGlobas/MolHandling(fixes)/DicePlayer Translation

2021-12-06 21:20:34 -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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