CoreDev
/
CMMDE
4
1
Fork 0
Code Issues 2 Pull Requests Packages Projects Releases Wiki Activity
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.
14 Commits
1 Branch
0 Tags
31 MiB
 
 
 
Tag: Branch: Tree: 8f94c4518c
Branches Tags
${ item.name }
Create tag ${ searchTerm }
Create branch ${ searchTerm }
from '8f94c4518c'
${ noResults }
CMMDE/cmmde_gui/test/naftalena
Aditya Wibawa Sakti 58a1f9020d
Added xTB Standalone Support 		2 years ago
..
cmmd.engrad Added xTB Standalone Support 2 years ago
cmmd.gbw Added xTB Standalone Support 2 years ago
cmmd.in Added xTB Standalone Support 2 years ago
cmmd.opt Added xTB Standalone Support 2 years ago
cmmd.out Added xTB Standalone Support 2 years ago
cmmd.xtbrestart Added xTB Standalone Support 2 years ago
cmmd.xyz Added xTB Standalone Support 2 years ago
cmmd_property.txt Added xTB Standalone Support 2 years ago
cmmd_trj.xyz Added xTB Standalone Support 2 years ago
geom.smi Added xTB Standalone Support 2 years ago
geom.xyz Added xTB Standalone Support 2 years ago
run.sh Added xTB Standalone Support 2 years ago
run_babel.sh Added xTB Standalone Support 2 years ago
slurm-2850.out Added xTB Standalone Support 2 years ago
slurm-2851.out Added xTB Standalone Support 2 years ago