Commits · 3e33b09e7ffdc5b8dc64602888efacbb3d1bbf7d · tsoc / openmm

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04 Aug, 2025 1 commit
- Move example files and update README files · 3e33b09e
  Evan Pretti authored Aug 04, 2025
  
  3e33b09e
29 Jul, 2025 1 commit
- Tentative new structure for examples directory · 346d3ce3
  Evan Pretti authored Jul 29, 2025
  
  346d3ce3
10 Mar, 2025 1 commit
- Examples use DCDReporter instead of PDBReporter (#4838) · 7bdf028c
  Peter Eastman authored Mar 10, 2025
  
  7bdf028c
05 Jun, 2023 1 commit
- AmberPrmtopFile accepts box vectors as a constructor argument (#4094) · 13ff4482
  Peter Eastman authored Jun 05, 2023
  
  13ff4482
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

14 Feb, 2020 1 commit
- Renamed BAOABLangevinIntegrator to LangevinMiddleIntegrator · 65ee8fd7
  Peter Eastman authored Feb 14, 2020
  
  65ee8fd7
17 Jan, 2020 1 commit
- Updated simulation parameters in documentation and examples · ad35dab4
  peastman authored Jan 17, 2020
  
  ad35dab4
21 Oct, 2019 1 commit
- Updated documentation and examples to include BAOABLangevinIntegrator · e1aec292
  peastman authored Oct 21, 2019
  
  e1aec292
11 Aug, 2014 1 commit
- AMBER example script uses periodic box vectors from inpcrd · 89179942
  peastman authored Aug 11, 2014
  
  89179942
24 Apr, 2012 1 commit
- Added a StateDataReporter to the Python examples · 7a45cf24
  Peter Eastman authored Apr 24, 2012
  
  7a45cf24
03 Jan, 2012 1 commit
- Python examples only simulate 10,000 time steps instead of 100,000 · 3eff31f2
  Peter Eastman authored Jan 03, 2012
  
  3eff31f2
18 Nov, 2011 1 commit
- Added examples for app · 534fd404
  Peter Eastman authored Nov 18, 2011
  
  534fd404