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cutoff in tests too small

Open mastricker opened this issue 5 years ago • 2 comments

In test_adaptor_strict.cc is a multiple_fixtures list with

      MultipleStructureFixture<MultipleStructureManagerNLFixture>,
      MultipleStructureFixture<MultipleStructureManagerNLCCFixture>

We just noticed that at least parts of the underlying fixtures which are in there have a cutoff of 1, which is too small for the given structure. I.e. the neighbourlist does not contain any pairs. The respective structures should be changed to an appropriate cutoff. Otherwise nothing is tested here.

mastricker avatar Dec 02 '19 16:12 mastricker

@Felix: small cutoff is intentional to check for empty neighbourlist

test_adaptor.hh MultipleStructureManagerNLFixture: Try do reduce the number of cutoff to two, which are intentional to check for neighbours, etc.

mastricker avatar Dec 03 '19 13:12 mastricker

It would be helpful for the fixtures to have a member stating whether the adaptor-cutoff combination should lead to a managers for which some centres have no neighbour.

tjunge avatar Dec 04 '19 10:12 tjunge