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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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Tag: Branch: Tree: 1c60feb228
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CMMDE/cmmde_gui/test/metana_02514d87e9c74c04985f...
Aditya Wibawa Sakti 87d2e62c1a
cmmde-gui modification 		2 years ago
..
freq cmmde-gui modification 2 years ago
cmmd.engrad cmmde-gui modification 2 years ago
cmmd.gbw cmmde-gui modification 2 years ago
cmmd.in cmmde-gui modification 2 years ago
cmmd.opt cmmde-gui modification 2 years ago
cmmd.out cmmde-gui modification 2 years ago
cmmd.xtbrestart cmmde-gui modification 2 years ago
cmmd.xyz cmmde-gui modification 2 years ago
cmmd_property.txt cmmde-gui modification 2 years ago
cmmd_trj.xyz cmmde-gui modification 2 years ago
geom.smi cmmde-gui modification 2 years ago
geom.xyz cmmde-gui modification 2 years ago
run.sh cmmde-gui modification 2 years ago
run_babel.sh cmmde-gui modification 2 years ago
slurm-3027.out cmmde-gui modification 2 years ago
slurm-3028.out cmmde-gui modification 2 years ago