Commit Graph

  • 5110c9d0d5 Correct the freezing bond for GOAT-REACT main Aditya Wibawa Sakti 2024-08-16 20:47:20 +0900
  • 9ac789e8fd update features for ORCA6 Aditya Wibawa Sakti 2024-08-16 18:28:46 +0900
  • ad771196a6 update features for ORCA6 Aditya Wibawa Sakti 2024-08-16 18:26:59 +0900
  • 410a542883 update features for ORCA6 Aditya Wibawa Sakti 2024-08-14 22:43:57 +0900
  • 70ea631437 update features for ORCA6 Aditya Wibawa Sakti 2024-08-14 21:38:55 +0900
  • 03ab66ef78 update features for ORCA6 Aditya Wibawa Sakti 2024-08-14 19:15:26 +0900
  • da8871cde3 update features for ORCA6 Aditya Wibawa Sakti 2024-08-14 19:08:00 +0900
  • 2dd312b99b update and bug fix Aditya Wibawa Sakti 2024-06-02 12:55:41 +0900
  • d577c73c60 update and bug fix Aditya Wibawa Sakti 2024-06-02 12:53:12 +0900
  • 5b3599bb9a update Aditya Wibawa Sakti 2024-03-28 16:11:09 +0900
  • 53b3d378c4 update Aditya Wibawa Sakti 2024-03-19 13:06:08 +0900
  • 0ded9d1126 bug fix for DCDFTB Aditya Wibawa Sakti 2024-01-15 10:58:25 +0900
  • 50197aaf02 fix bug with the temperature in -s gromacs Aditya Wibawa Sakti 2023-12-01 16:10:57 +0900
  • b316af7e71 change -slurm to -q Aditya Wibawa Sakti 2023-08-21 13:58:14 +0700
  • 0564066980 update Aditya Wibawa Sakti 2023-06-28 18:14:17 +0900
  • 4d6984f885 Bug fix Aditya Wibawa Sakti 2023-04-17 13:03:52 +0900
  • 2e296b4997 Modified DCDFTBMD Aditya Wibawa Sakti 2023-04-16 09:36:16 +0900
  • 54e5e463a3 modreadme Aditya Wibawa Sakti 2023-04-08 16:11:59 +0900
  • c895649a55 update README Nova Pratiwi Indriyani 2023-03-23 11:26:53 +0900
  • a6d99530c4 update README Nova Pratiwi Indriyani 2023-03-22 23:48:22 +0900
  • 8032b6879d update Nova Pratiwi Indriyani 2023-01-18 15:58:42 +0900
  • be5cb3dce0 add XTB1 to the DFTB+ module Aditya Wibawa Sakti 2022-11-02 12:53:24 +0900
  • 500f7c3fd1 added non-slurm calculations Aditya Wibawa Sakti 2022-10-12 14:50:51 +0900
  • 64a32ccbc6 mod README adit 2022-09-03 22:48:50 +0700
  • 2cd971f53f mod README adit 2022-09-03 22:46:34 +0700
  • 56499c6113 mod README adit 2022-09-01 16:05:26 +0700
  • 8f9fb4cdea mod README adit 2022-09-01 16:04:39 +0700
  • 322ddc4ad6 mod README adit 2022-08-31 20:53:02 +0700