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Commit Graph

14 Commits (70ea631437e17dae206376fb9aae6a30b0af7347)

Author SHA1 Message Date
Aditya Wibawa Sakti 70ea631437 update features for ORCA6
1 year ago
Aditya Wibawa Sakti 03ab66ef78 update features for ORCA6
1 year ago
Aditya Wibawa Sakti da8871cde3 update features for ORCA6
1 year ago
Aditya Wibawa Sakti d577c73c60 update and bug fix
1 year ago
Aditya Wibawa Sakti 53b3d378c4 update
2 years ago
Aditya Wibawa Sakti 50197aaf02 fix bug with the temperature in -s gromacs
2 years ago
Aditya Wibawa Sakti b316af7e71 change -slurm to -q
2 years ago
Aditya Wibawa Sakti 0564066980 update
2 years ago
Aditya Wibawa Sakti 4d6984f885 Bug fix
3 years ago
Aditya Wibawa Sakti 2e296b4997 Modified DCDFTBMD
3 years ago
Nova Pratiwi Indriyani 8032b6879d update
3 years ago
Aditya Wibawa Sakti be5cb3dce0 add XTB1 to the DFTB+ module
3 years ago
Aditya Wibawa Sakti 500f7c3fd1 added non-slurm calculations
3 years ago
adit 322ddc4ad6 mod README
3 years ago