9 Commits (50197aaf021efe044a44d41c5e1593c68c4770c2)

Author SHA1 Message Date
Aditya Wibawa Sakti 50197aaf02 fix bug with the temperature in -s gromacs 11 months ago
Aditya Wibawa Sakti b316af7e71 change -slurm to -q 1 year ago
Aditya Wibawa Sakti 0564066980 update 1 year ago
Aditya Wibawa Sakti 4d6984f885 Bug fix 2 years ago
Aditya Wibawa Sakti 2e296b4997 Modified DCDFTBMD 2 years ago
Nova Pratiwi Indriyani 8032b6879d update 2 years ago
Aditya Wibawa Sakti be5cb3dce0 add XTB1 to the DFTB+ module 2 years ago
Aditya Wibawa Sakti 500f7c3fd1 added non-slurm calculations 2 years ago
adit 322ddc4ad6 mod README 2 years ago