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Commit Graph

28 Commits (5110c9d0d5483212f68f828bcaada94efcc79d6e)
 

Author SHA1 Message Date
Aditya Wibawa Sakti 5110c9d0d5 Correct the freezing bond for GOAT-REACT
1 month ago
Aditya Wibawa Sakti 9ac789e8fd update features for ORCA6
1 month ago
Aditya Wibawa Sakti ad771196a6 update features for ORCA6
1 month ago
Aditya Wibawa Sakti 410a542883 update features for ORCA6
1 month ago
Aditya Wibawa Sakti 70ea631437 update features for ORCA6
1 month ago
Aditya Wibawa Sakti 03ab66ef78 update features for ORCA6
1 month ago
Aditya Wibawa Sakti da8871cde3 update features for ORCA6
1 month ago
Aditya Wibawa Sakti 2dd312b99b update and bug fix
4 months ago
Aditya Wibawa Sakti d577c73c60 update and bug fix
4 months ago
Aditya Wibawa Sakti 5b3599bb9a update
6 months ago
Aditya Wibawa Sakti 53b3d378c4 update
6 months ago
Aditya Wibawa Sakti 0ded9d1126 bug fix for DCDFTB
8 months ago
Aditya Wibawa Sakti 50197aaf02 fix bug with the temperature in -s gromacs
10 months 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
1 year ago
Aditya Wibawa Sakti 2e296b4997 Modified DCDFTBMD
1 year ago
Aditya Wibawa Sakti 54e5e463a3 modreadme
1 year ago
Nova Pratiwi Indriyani c895649a55 update README
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 64a32ccbc6 mod README
2 years ago
adit 2cd971f53f mod README
2 years ago
adit 56499c6113 mod README
2 years ago
adit 8f9fb4cdea mod README
2 years ago
adit 322ddc4ad6 mod README
2 years ago