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

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CMMDE/bin

History

Aditya Wibawa Sakti 70ea631437 update features for ORCA6		1 month ago
..
cmmde.py	update features for ORCA6	1 month ago
cmmde_adsorbate.py	mod README	2 years ago
cmmde_gen2xyz.rb	mod README	2 years ago
cmmde_poscar2gen.rb	mod README	2 years ago
cmmde_xyz2poscar.rb	mod README	2 years ago
cmmdepost.py	update features for ORCA6	1 month ago
cmmdepre.py	update	1 year ago