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.

Tag: Branch: Tree: 8f94c4518c

main

Branches Tags

${ item.name }

Create tag ${ searchTerm }

Create branch ${ searchTerm }

from '8f94c4518c'

${ noResults }

CMMDE/cmmde_gui/molekul

History

Aditya Wibawa Sakti 8f94c4518c bug fix opt orca		2 years ago
..
cmmd.engrad	bug fix opt orca	2 years ago
cmmd.gbw	bug fix opt orca	2 years ago
cmmd.in	bug fix opt orca	2 years ago
cmmd.opt	bug fix opt orca	2 years ago
cmmd.out	bug fix opt orca	2 years ago
cmmd.xtbrestart	bug fix opt orca	2 years ago
cmmd.xyz	bug fix opt orca	2 years ago
cmmd_property.txt	bug fix opt orca	2 years ago
cmmd_trj.xyz	bug fix opt orca	2 years ago
geom.smi	bug fix opt orca	2 years ago
geom.xyz	bug fix opt orca	2 years ago
run.sh	bug fix opt orca	2 years ago
run_babel.sh	bug fix opt orca	2 years ago
slurm-2879.out	bug fix opt orca	2 years ago
slurm-2880.out	bug fix opt orca	2 years ago