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Commit Graph

18 Commits (main)

Author SHA1 Message Date
Aditya Wibawa Sakti 5110c9d0d5 Correct the freezing bond for GOAT-REACT
10 months ago
Aditya Wibawa Sakti ad771196a6 update features for ORCA6
10 months ago
Aditya Wibawa Sakti 410a542883 update features for ORCA6
10 months ago
Aditya Wibawa Sakti 03ab66ef78 update features for ORCA6
10 months ago
Aditya Wibawa Sakti da8871cde3 update features for ORCA6
10 months ago
Aditya Wibawa Sakti d577c73c60 update and bug fix
1 year ago
Aditya Wibawa Sakti 5b3599bb9a update
1 year ago
Aditya Wibawa Sakti 0ded9d1126 bug fix for DCDFTB
1 year 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
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
3 years ago
Aditya Wibawa Sakti 500f7c3fd1 added non-slurm calculations
3 years ago
adit 322ddc4ad6 mod README
3 years ago