A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
You can not select more than 25 topics Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
 
 
 
Aditya Wibawa Sakti 500f7c3fd1 added non-slurm calculations 2 years ago
..
cmmde.py added non-slurm calculations 2 years 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 mod README 2 years ago
cmmdepre.py mod README 2 years ago