7 Commits

Author SHA1 Message Date
Peter Eastman
e62bdf6adb API improvements (#4437)
* Can use getPlatform() instead of getPlatformByName()

* More concise arguments for getState()
2024-02-13 15:29:55 -08:00
Peter Eastman
c47fc7ce9b Prevent intermittent failures in a test case (#3622) 2022-06-01 17:31:15 -07:00
Stefan Hervø-Hansen
b95f39da26 Added temperature adjustment to MC barostat for simulated tempering (#3614)
* Added temperature adjustment to MC barostat for simulated tempering

fixes #3612

* Added test for simulated tempering with MC barostat.

* Fixed typo in TestSimulatedTempering.py

* Updated NPT test for SimulatedTempering

* Updated variable naming

* Reverted back to harmonic oscillator test
2022-05-31 11:04:45 -07:00
Peter Eastman
e53bdc5eab Top level Python module is now "openmm" (#3000)
* Top level Python module is now "openmm"

* Updated module names in examples

* Updated module names in documentation

* Updated module in CI scripts

* Added deprecation warning
2021-02-01 09:40:37 -08:00
peastman
44325d07c5 Made some tests more robust 2020-05-28 10:52:32 -07:00
peastman
5e67101928 Fixed error on Python 2.7 2019-07-30 11:45:04 -07:00
peastman
63b78261fe Added test case for simulated tempering 2019-07-12 13:57:52 -07:00