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Commit Graph

12 Commits (5b3599bb9a5d31ad7d5f65af96a62a09600d718c)

Author SHA1 Message Date
Aditya Wibawa Sakti 5b3599bb9a update
2 years ago
Aditya Wibawa Sakti 0ded9d1126 bug fix for DCDFTB
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 2e296b4997 Modified DCDFTBMD
3 years ago
Aditya Wibawa Sakti 54e5e463a3 modreadme
3 years ago
Nova Pratiwi Indriyani a6d99530c4 update README
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