3 Commits

Author SHA1 Message Date
Thomas Holder
54d76ec145 Add test for issue #140 2023-10-20 23:22:17 +02:00
Thomas Holder
7d78acac6e Improve MolecularContainer.top_up_conformations
Top up from all conformations, not just first.

Fixes https://github.com/jensengroup/propka/issues/147
2023-09-17 15:30:29 +02:00
Nathan Baker
393f5cee50 Rename "Tests" directory for consistency. 2020-05-21 10:39:08 -07:00