HideyoshiNakazone/DicePlayer
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Vitor Hideyoshi 2a4e9eff0c Initial Translation of Gaussian Processes and Packaging of DicePlayer python module 
This commit adds the methods that were present in the Gaussian.py file into the SetGlobals.py file and packages the program into a diceplayer module so it can be ran using 'python3 -m diceplayer'

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
diceplayer
Initial Translation of Gaussian Processes and Packaging of DicePlayer python module
2021-12-06 21:20:35 -03:00
control.in
Initial Translation of Gaussian Processes and Packaging of DicePlayer python module
2021-12-06 21:20:35 -03:00
geoms.xyz
v0.0.1
2021-12-06 21:20:32 -03:00
run.log
Initial Translation of Gaussian Processes and Packaging of DicePlayer python module
2021-12-06 21:20:35 -03:00
run.log.backup
Initial Translation of Gaussian Processes and Packaging of DicePlayer python module
2021-12-06 21:20:35 -03:00
Description
Python Program for Molecular Optimization in Non-Vacuum Mediums
gaussian16python
751 KiB
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