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CMMDE
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A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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CMMDE/cmmde_gui/test
Aditya Wibawa Sakti 58a1f9020d
Added xTB Standalone Support 		3 years ago
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naftalena Added xTB Standalone Support 3 years ago
cmmd.engrad change gui template 3 years ago
cmmd.gbw change gui template 3 years ago
cmmd.in change gui template 3 years ago
cmmd.opt change gui template 3 years ago
cmmd.out change gui template 3 years ago
cmmd.xtbrestart change gui template 3 years ago
cmmd.xyz change gui template 3 years ago
cmmd_property.txt change gui template 3 years ago
cmmd_trj.xyz change gui template 3 years ago
geom.smi change gui template 3 years ago
geom.xyz change gui template 3 years ago
run.sh change gui template 3 years ago
run_babel.sh change gui template 3 years ago
slurm-2745.out change gui template 3 years ago
slurm-2746.out change gui template 3 years ago