There is a newer version of the record available.

Published April 13, 2020 | Version v1.2.0
Software Open

MRChemSoft/mrcpp: MRCPP-v1.2.0: Minor release

Creators

  • 1. Hylleraas Centre for Quantum Molecular Sciences, UiT
  • 2. Universitetet i Tromsø / Virginia Tech
  • 3. CTCC, UiT

Description

Added
  • Projecton of vector function onto FunctionTreeVector (API)
  • Construction of semi-periodic Gaussians (non-API)
  • CircleCI test build config
Changed
  • New versioning scheme and branching model, documented in README
  • Much improved API documentation
  • Proper installation of MW filters
  • FunctionTrees are now evaluated as zero outside the domain
Fixed
  • Faulty cube plot grid generation
  • Pull Eigen from gitlab instead of deprecated github mirror
  • Incompatible compiler flags between debug and release
  • Failing periodic unit tests
  • Plotting range verification

Files

MRChemSoft/mrcpp-v1.2.0.zip

Files (48.9 MB)

Name Size Download all
md5:b0a8b4b891620c6332f995b14c3c33ac
48.9 MB Preview Download

Additional details

Related works

Is supplement to
https://github.com/MRChemSoft/mrcpp/tree/v1.2.0 (URL)