A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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Aditya Wibawa Sakti d2410c6c7d mod cmmdepost Orca 2 years ago
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cmmde.py xTB bug fix 2 years ago
cmmde_adsorbate.py First launching 2 years ago
cmmde_gen2xyz.rb First launching 2 years ago
cmmde_poscar2gen.rb First launching 2 years ago
cmmde_xyz2poscar.rb First launching 2 years ago
cmmdepost.py mod cmmdepost Orca 2 years ago
cmmdepre.py cmmde-gui modification 2 years ago