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Vitor Hideyoshi Nakazone Batista ec08e05614 MolHandling Translation - Most 
In this commit most of the work about Molecules and the Quantum Mechanical System has been finished, the only part still missing if a method that populates de ASSEC, but this method requires the Classes: Dice, Player and Gaussian

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 - Most
2021-12-06 21:20:33 -03:00
.control.in.swp
v0.0.1
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control.in
v0.0.1
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diceplayer.py
Initial work in the Molecule and Atom class
2021-12-06 21:20:33 -03:00
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
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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