A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.

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CMMDE/examples/ts

History

Nova Pratiwi Indriyani 8032b6879d update		2 years ago
..
cmmd.densities	update	2 years ago
cmmd.engrad	update	2 years ago
cmmd.gbw	update	2 years ago
cmmd.in	update	2 years ago
cmmd.opt	update	2 years ago
cmmd.out	update	2 years ago
cmmd.xyz	update	2 years ago
cmmd_property.txt	update	2 years ago
cmmd_trj.xyz	update	2 years ago
geom.xyz	update	2 years ago
run.sh	update	2 years ago
slurm-2636.out	update	2 years ago