Skip to content
Snippets Groups Projects
  1. May 07, 2020
  2. May 04, 2020
  3. Apr 30, 2020
  4. Feb 19, 2020
    • Kurt A. O'Hearn's avatar
      PG-PuReMD: merge changes from sPuReMD and PuReMD for validation work for... · f144ed9a
      Kurt A. O'Hearn authored
      PG-PuReMD: merge changes from sPuReMD and PuReMD for validation work for simulation accuracy. Small correction to lone pair energy calculation. PuReMD: code formatting changes to better align with sPuReMD. sPuReMD: fix issue with valence angle calculations not setting list indices under certain sitations (taking previous continue statement missed index assignment).
      f144ed9a
  5. May 29, 2018
  6. May 21, 2018
  7. May 14, 2018
  8. Jul 16, 2017
  9. Jun 13, 2017
  10. Jun 20, 2016
  11. Jun 18, 2016
  12. Apr 23, 2016
  13. Jan 14, 2016
Loading