dftlibs / xcfun

XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives

https://dftlibs.org/xcfun/

Mozilla Public License 2.0

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Fix comments and error messages for energy functions #159

Closed susilehtola closed 2 years ago

susilehtola commented 2 years ago

Description

The descriptions and error messages in the Python wrapper are inconsistent. That is fixed by this PR.

Motivation and Context

How Has This Been Tested?

Screenshots (if appropriate):

Todos

Developer Interest
- [ ] Feature1
User-Facing for Release Notes
- [ ] Feature2

Types of changes

[x] Bug fix (non-breaking change which fixes an issue)
[ ] New feature (non-breaking change which adds functionality)
[ ] Breaking change (fix or feature that would cause existing functionality to change)

Questions

[ ] Question1

Status

[x] Ready to go

codecov-commenter commented 2 years ago

Codecov Report

Merging #159 (18b99d2) into master (ff498cd) will not change coverage. The diff coverage is n/a.

@@           Coverage Diff           @@
##           master     #159   +/-   ##
=======================================
  Coverage   50.40%   50.40%           
=======================================
  Files          89       89           
  Lines        2335     2335           
=======================================
  Hits         1177     1177           
  Misses       1158     1158

Continue to review full report at Codecov.

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