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jjgoings / McMurchie-Davidson

do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
BSD 3-Clause "New" or "Revised" License
78 stars 17 forks source link

Test suite organization #11

Closed jjgoings closed 3 years ago

jjgoings commented 3 years ago

Unit tests need to be labeled and indexed for ease of reference. Currently the names are meaningless.

TODO: Describe the tests in the file McMurchie-Davidson/tests/index for reference, maybe add to README or Wiki(?)