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@m3g m3g released this 12 Aug 17:26
· 17 commits to master since this release
  • Changed version file to 17.224
  • fixed initialization of md_sum, md_sum_random, and kb(i)
  • removed unused variables from gmd.f90 and align.f90
  • compute kb integral explicitly as the paper formula
  • improved number format in gmd output
  • simplyfied gmd output to show only main resutls
  • changed all GSS to GMD in gss.f90
  • changed gss to gmd inside gmd.inp file
  • in this version of gmd.90, some counts that were performed in previous versions, to compute the atomic-specific gmds, and perhaps the orientational factor of the gmd, were removed, for the simplicity of the code. Previous versions should be checked if these counts are to be restored.