Adding full suite of unit tests and their supporting folders.

msg-byu / symlib

Spacegroup finder. Includes symmetry-related routines for cluster expansion and other codes that rely on symmetries of lattices and crystals.

MIT License

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Adding full suite of unit tests and their supporting folders. #6

Closed wsmorgan closed 9 years ago

wsmorgan commented 9 years ago

Committing all unit tests for symlib with their updated and working .xml and .f90 files. Most *.f90 files were unchanged but a few had minor revisions to bring them better in line with fortran best practices. Some unit tests still don't run due to fortpy bugs, those are marked in the xml files with testing_bug.

rosenbrockc commented 9 years ago

In symmetry.f90, the subroutine check_spaceGroup was removed from the publics list, but that was not described in the commit message. Will be fixed (included again) before merger.
The unit test for check_spaceGroup has purpose="testing_skip", perhaps for the same reason it was removed.
Subroutines subset_mask, generate_next_subset, initialize_subset_mask, print_subset_mask are also not declared as private anymore. Gus says they are deprecated.

rosenbrockc commented 9 years ago

Code review done; it looks good.