Changeset b3bd7d


Ignore:
Timestamp:
May 19, 2021, 7:06:29 PM (4 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
Candidate_v1.7.0, stable
Children:
698185
Parents:
55c494
git-author:
Frederik Heber <frederik.heber@…> (05/14/21 22:34:21)
git-committer:
Frederik Heber <frederik.heber@…> (05/19/21 19:06:29)
Message:

TEST: Added regression tests for fitting compound potential.

Location:
tests/regression
Files:
4 added
2 edited

Legend:

Unmodified
Added
Removed

  • tests/regression/Makefile.am

    r55c494 rb3bd7d  
    233233        $(srcdir)/Parser/Xyz/testsuite-parser-xyz-save.at \
    234234        $(srcdir)/Potential/testsuite-potential.at \
     235        $(srcdir)/Potential/FitCompoundPotential/testsuite-potential-fit-compound-potential.at \
    235236        $(srcdir)/Potential/FitPartialCharges/testsuite-potential-fit-partial-charges.at \
    236237        $(srcdir)/Potential/FitPotential/testsuite-potential-fit-potential.at \

  • tests/regression/Potential/testsuite-potential.at

    r55c494 rb3bd7d  
    3333# generating potentials to a fragment
    3434m4_include([Potential/GeneratePotentials/testsuite-potential-generate-potentials.at])
     35
     36# fitting a compound potential
     37m4_include([Potential/FitCompoundPotential/testsuite-potential-fit-compound-potential.at])
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