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Published May 26, 2021 | Version v2.1.0
Software Open

Numgrid: Numerical integration grid for molecules

Authors/Creators

Description

  • Add Krack-Köster radial grid (radial_grid_kk).
  • Rename radial_grid to radial_grid_lmg.
  • Make it possible to evaluate LMG grid by basis set name (radial_grid_lmg_bse).

Files

dftlibs/numgrid-v2.1.0.zip

Files (1.2 MB)

Name Size
md5:b099b024d8b47263439bbc0e459d5ba3
1.2 MB Preview Download

Additional details

Related works

Is supplement to
https://github.com/dftlibs/numgrid/tree/v2.1.0 (URL)