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Commit Graph

14 Commits (410a5428835cab63099bdc988576f6a79f4a8ef4)

Author SHA1 Message Date
Aditya Wibawa Sakti 70ea631437 update features for ORCA6
3 months ago
Aditya Wibawa Sakti 03ab66ef78 update features for ORCA6
3 months ago
Aditya Wibawa Sakti da8871cde3 update features for ORCA6
3 months ago
Aditya Wibawa Sakti d577c73c60 update and bug fix
6 months ago
Aditya Wibawa Sakti 53b3d378c4 update
8 months ago
Aditya Wibawa Sakti 50197aaf02 fix bug with the temperature in -s gromacs
1 year 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