1. 24 Nov, 2020 1 commit
  2. 19 Apr, 2020 2 commits
  3. 18 Apr, 2020 1 commit
  4. 09 Mar, 2020 1 commit
    • Anthony Stone's avatar
      Code updated · 5514590e
      Anthony Stone authored
      * dma.f90 (addql0,addqlm): Code rewritten to avoid the obsolete
      computed go-to statement.
      5514590e
  5. 07 Jan, 2020 1 commit
  6. 07 Nov, 2019 1 commit
  7. 01 Sep, 2019 2 commits
  8. 29 Aug, 2019 3 commits
  9. 22 Mar, 2019 1 commit
  10. 21 Mar, 2019 1 commit
    • Anthony Stone's avatar
      Documentation updated. · 576e27e9
      Anthony Stone authored
      Psi4 example added for formamide.
      gdma.f90 and dma.f90: some tidying up of comment and layout.
      576e27e9
  11. 20 Mar, 2019 1 commit
    • Anthony Stone's avatar
      Version 2.3.0 · 1b310014
      Anthony Stone authored
      Normalization inconsistency corrected. Extensively tested with h
      functions included.
      1b310014
  12. 12 Mar, 2019 2 commits
    • Anthony Stone's avatar
      Merge branch 'master' into public · dcefcba0
      Anthony Stone authored
      Master modified to handle h basis functions
      dcefcba0
    • Anthony Stone's avatar
      Modified to handle h basis functions · d903085b
      Anthony Stone authored
      Note that there is an error in the treatment of h function
      normalization by both Psi4 and Gaussian. There is a workaround in the
      current version of gdma.f90. If in the future the error in Psi4 or
      Gaussian is corrected, change the value of the constant h_bug_fixed to
      .true.
      d903085b
  13. 25 Feb, 2019 1 commit
  14. 06 Feb, 2019 1 commit
  15. 26 Jan, 2019 1 commit
  16. 24 Jan, 2019 1 commit
  17. 18 Jan, 2019 3 commits
  18. 17 Jan, 2019 1 commit