Vitor Hideyoshi 49d509029f Dice Processes ...

This commit creates and fixes the Dice process: NVT.ter, NPT.ter, NPT.eq

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

2021-12-06 21:20:35 -03:00

.vscode

Initial work in the Molecule and Atom class

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

DPpack

Dice Processes

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control.in

Dice Processes

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diceplayer.py

Dice Processes

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geoms.xyz

v0.0.1

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run.log

Dice Processes

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run.log.backup

Dice Processes

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Description

Python Program for Molecular Optimization in Non-Vacuum Mediums

gaussian16python

751 KiB

Languages

Python 100%