HideyoshiNakazone/DicePlayer
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Vitor Hideyoshi Nakazone Batista 6768012cc0 MolHandling Translation 
In this commit were created a System class to manage the functions between two atoms and various new functions were translated

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
MolHandling Translation
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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Python 100%