A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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adit 322ddc4ad6 mod README 2 years ago
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cmmd.densities mod README 2 years ago
cmmd.engrad mod README 2 years ago
cmmd.gbw mod README 2 years ago
cmmd.in mod README 2 years ago
cmmd.opt mod README 2 years ago
cmmd.out mod README 2 years ago
cmmd.xyz mod README 2 years ago
cmmd_property.txt mod README 2 years ago
cmmd_trj.xyz mod README 2 years ago
geom.xyz mod README 2 years ago
run.sh mod README 2 years ago
slurm-2636.out mod README 2 years ago