Commits · 00e3b767689bb96429a41dde35260c66dc2a02c1 · tsoc / openmm

03 Dec, 2024 1 commit
- Added atomSubset option to DCDReporter and XTCReporter (#4741) · 00e3b767
  Peter Eastman authored Dec 02, 2024
  
  00e3b767
13 Feb, 2024 1 commit

Peter Eastman authored Feb 13, 2024

* Can use getPlatform() instead of getPlatformByName()

* More concise arguments for getState()

e62bdf6a

01 Feb, 2021 1 commit

Top level Python module is now "openmm" (#3000) · e53bdc5e

Peter Eastman authored Feb 01, 2021

* 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

e53bdc5e

04 Mar, 2017 1 commit
- Fixed the next failure... · f1e31c1d
  peastman authored Mar 03, 2017
  
  f1e31c1d
03 Mar, 2017 1 commit
- Fixed test failure on Windows · 1119b032
  peastman authored Mar 03, 2017
  
  1119b032
28 Feb, 2017 1 commit
- Can append to DCD files · 61053842
  peastman authored Feb 27, 2017
  
  61053842
09 Nov, 2016 1 commit
- Fixed error writing a DCD file for a very long trajectory · 61293829
  peastman authored Nov 09, 2016
  
  61293829
14 Nov, 2014 3 commits
- Make sure the DCD file handle is closed -- do it the right way in the test. · c6b6b894
  Jason Swails authored Nov 14, 2014
```
Make sure files are appropriately closed by PDBFile()
```
  c6b6b894
- Open as binary (needed for Python 3) · a64e0db6
  Jason Swails authored Nov 14, 2014
  
  a64e0db6
- Use tempfile to make a file. · 645bf229
  Jason Swails authored Nov 14, 2014
  
  645bf229
13 Nov, 2014 1 commit

Add a basic DCD file test. There's no DCD file _reader_, so without MDTraj we · efce20c2

Jason Swails authored Nov 13, 2014

can't validate the that this object does anything more than simply write without
exceptions (i.e., we can't tell if the DCD file is actually _valid_)

efce20c2