- 17 Jun, 2020 1 commit
-
-
Ignacio Pickering authored
* cleanup after test_vibrational to avoid .pckl files everywhere * only dump test_neurochem's runs into torchani/tests * avoid runs inside tests/ * Add coverage to gitignore * consts is unnecessary here
-
- 04 Feb, 2020 1 commit
-
-
Ignacio Pickering authored
* Add force constants, reduced masses and normalized normal modes to vibrational analysis * Formatting to make flake8 happy
-
- 21 May, 2019 1 commit
-
-
Gao, Xiang authored
-
- 10 May, 2019 1 commit
-
-
Gao, Xiang authored
-