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Commit Graph

11 Commits (0ded9d1126855945d40fadab942f9af47ed040f9)

Author SHA1 Message Date
Aditya Wibawa Sakti 0ded9d1126 bug fix for DCDFTB
10 months ago
Aditya Wibawa Sakti 50197aaf02 fix bug with the temperature in -s gromacs
12 months ago
Aditya Wibawa Sakti b316af7e71 change -slurm to -q
1 year ago
Aditya Wibawa Sakti 0564066980 update
1 year ago
Aditya Wibawa Sakti 2e296b4997 Modified DCDFTBMD
2 years ago
Aditya Wibawa Sakti 54e5e463a3 modreadme
2 years ago
Nova Pratiwi Indriyani a6d99530c4 update README
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