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Commit Graph

13 Commits (70ea631437e17dae206376fb9aae6a30b0af7347)

Author SHA1 Message Date
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 5b3599bb9a update
8 months ago
Aditya Wibawa Sakti 0ded9d1126 bug fix for DCDFTB
11 months ago
Aditya Wibawa Sakti 50197aaf02 fix bug with the temperature in -s gromacs
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 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