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

History

Aditya Wibawa Sakti 95f1889cd6 change gui template		2 years ago
..
cmmd.engrad	change gui template	2 years ago
cmmd.gbw	change gui template	2 years ago
cmmd.in	change gui template	2 years ago
cmmd.opt	change gui template	2 years ago
cmmd.out	change gui template	2 years ago
cmmd.xtbrestart	change gui template	2 years ago
cmmd.xyz	change gui template	2 years ago
cmmd_property.txt	change gui template	2 years ago
cmmd_trj.xyz	change gui template	2 years ago
geom.smi	change gui template	2 years ago
geom.xyz	change gui template	2 years ago
run.sh	change gui template	2 years ago
run_babel.sh	change gui template	2 years ago
slurm-2745.out	change gui template	2 years ago
slurm-2746.out	change gui template	2 years ago