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Published October 24, 2018 | Version v1.0.2
Software Open

dftlibs/numgrid: numgrid v1.0.2

Creators

  • 1. @uit-no @neicnordic
  • 2. Universitetet i Tromsø / Virginia Tech

Description

  • Grid memory management is now client-side.
  • Compute one center at a time.
  • Full basis set does not need to be provided.
  • Separate arrays for x, y, z, and weights.
  • Use Pipfile instead of requirements.txt.
  • Simplify CMake structure.
  • Require C++11.

Files

dftlibs/numgrid-v1.0.2.zip

Files (473.1 kB)

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md5:9f33f149a0417024797302821947e623
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Additional details

Related works

Is supplement to
https://github.com/dftlibs/numgrid/tree/v1.0.2 (URL)