GitHub - dmiraenko/oplsaa_parser: Program for including OPLSAA keywords into .hin files

dmiraenko / oplsaa_parser Public

Program for including OPLSAA keywords into .hin files

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Name		Name	Last commit message	Last commit date
Latest commit History 2 Commits
.vscode		.vscode
Grf.xyz		Grf.xyz
Grf3nmCH4 copy.xyz		Grf3nmCH4 copy.xyz
Grf3nmCH4.key		Grf3nmCH4.key
Grf3nmCH4.xyz		Grf3nmCH4.xyz
Grouped atoms.xlsx		Grouped atoms.xlsx
La-BTC.hin		La-BTC.hin
cases_to_consider.txt		cases_to_consider.txt
graphene_3.hin		graphene_3.hin
input		input
oplsaa.prm		oplsaa.prm
oplsaa_parser.py		oplsaa_parser.py
test.hin		test.hin
test_benz.hin		test_benz.hin