Commits · 2abeb80165773121d6297f8b2531daa23e343f91 · tsoc / openmm

"include/tensorview/kernel_utils.h" did not exist on "c336139f260b9db5b7209e99d1c59bf5bc5fe3dd"

15 Jul, 2025 1 commit
- fix(openmmapi): move getNum...() definitions to implementation files (#5009) · 2abeb801
  Yannick Lemke authored Jul 15, 2025
```
Fixes #5001.
Signed-off-by: Yannick Lemke <yannick.lemke@posteo.de>
```
  2abeb801
06 Sep, 2024 1 commit

Optimize updateParametersInContext() (#4610) · 78902bed

Peter Eastman authored Sep 06, 2024

* Optimize CustomNonbondedForce.updateParametersInContext()

* Optimized uploading changed values to GPU

* Optimized updateParametersInContext() for lots of bonded forces

* Optimized updateParametersInContext() for CustomExternalForce

* Optimized updateParametersInContext() for NonbondedForce

* Code changes for HIP platform

78902bed

06 Jul, 2016 1 commit
- Beginnings of support for derivatives with respect to parameters · cd566c63
  peastman authored Jul 06, 2016
  
  cd566c63
12 Apr, 2016 1 commit
- Reference implementation of periodic boundary conditions for bonded forces · 908340c1
  Peter Eastman authored Apr 12, 2016
  
  908340c1
15 Apr, 2013 1 commit
- Context constructor now uses const System&, guaranteeing that System won't be modified. · 0307a0db
  Yutong Zhao authored Apr 15, 2013
  
  0307a0db
06 Jun, 2012 1 commit
- Implemented updateParametersInContext() for seven more Force classes · 4bc723ab
  Peter Eastman authored Jun 06, 2012
  
  4bc723ab
31 Jan, 2012 1 commit
- Added index bounds checking to lots of methods · a566a074
  Peter Eastman authored Jan 31, 2012
  
  a566a074
10 Nov, 2009 1 commit
- Created CustomBondForce, along with the reference implementation · 3eb561ad
  Peter Eastman authored Nov 10, 2009
  
  3eb561ad
01 May, 2009 1 commit
- The various addX() methods return the index of the thing they just added · 5610057f
  Peter Eastman authored May 01, 2009
  
  5610057f
21 Apr, 2009 1 commit
- Moved header files into an openmm subdirectory · 644cc275
  Peter Eastman authored Apr 21, 2009
  
  644cc275
17 Apr, 2009 1 commit

Modified the API for lots of classes so that the number of... · 64493da6

Peter Eastman authored Apr 17, 2009

Modified the API for lots of classes so that the number of particles/bonds/etc. need not be specified in the constructor.

64493da6

22 Oct, 2008 2 commits
- Renamed "atoms" to "particles" · 62c4fd53
  Peter Eastman authored Oct 22, 2008
  
  62c4fd53
- Split StandardMMForceField into separate classes for each force term. · ad75a390
  Peter Eastman authored Oct 22, 2008
  
  ad75a390
16 Apr, 2008 2 commits
- Reorganization of the OpenMM source code · 6ddebdb2
  Peter Eastman authored Apr 16, 2008
  
  6ddebdb2
- Reorganization of the OpenMM source code · 0e879806
  Peter Eastman authored Apr 16, 2008
  
  0e879806