Vitor Hideyoshi a1ff35eba6 Initial Translation of SetGlobals ...

Initial work in the tradution of SetGlobals and Logistics in the use of classes for the management of processes and threaded works

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

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

.vscode

Initial work in the Molecule and Atom class

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

DPpack

Initial Translation of SetGlobals

2021-12-06 21:20:33 -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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