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ALCHEMI Toolkit-Ops

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All modules for which code is available

  • nvalchemiops.interactions.dispersion.dftd3
  • nvalchemiops.interactions.electrostatics.coulomb
  • nvalchemiops.interactions.electrostatics.ewald
  • nvalchemiops.interactions.electrostatics.k_vectors
  • nvalchemiops.interactions.electrostatics.parameters
  • nvalchemiops.interactions.electrostatics.pme
  • nvalchemiops.math.gto
  • nvalchemiops.math.math
  • nvalchemiops.neighborlist.batch_cell_list
  • nvalchemiops.neighborlist.batch_naive
  • nvalchemiops.neighborlist.batch_naive_dual_cutoff
  • nvalchemiops.neighborlist.cell_list
  • nvalchemiops.neighborlist.naive
  • nvalchemiops.neighborlist.naive_dual_cutoff
  • nvalchemiops.neighborlist.neighbor_utils
  • nvalchemiops.neighborlist.neighborlist
  • nvalchemiops.neighborlist.rebuild_detection
  • nvalchemiops.spline
  • nvalchemiops.types

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