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 d2410c6c7d mod cmmdepost Orca		2 years ago
..
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