Commits · 86988b90b82d14ed3d62d5f0671230428e40c9b7 · tsoc / openmm

18 May, 2023 1 commit

Faster implementation of CustomHbondForce (#4060) · b4c54303

Peter Eastman authored May 17, 2023

* Faster implementation of CustomHbondForce

* Minor optimization

* Optimized writing forces, which are often zero

* Fix test failure on CPU OpenCL

* Bug fix

b4c54303

02 Nov, 2021 1 commit

updateParametersInContext() can change tabulated functions (#3307) · 27bcb657

Peter Eastman authored Nov 02, 2021

* updateParametersInContext() can change tabulated functions

* Fixed error in building C wrappers

* updateParametersInContext() can change tabulated functions for CustomCentroidBondForce

* CustomNonbondedForce can update tabulated functions

* CustomGBForce can update tabulated functions

* CustomManyParticleForce can update tabulated functions

* CustomHbondForce can update tabulated functions

27bcb657

21 Dec, 2018 1 commit
- Fixed error using 2D tabulated function with CustomHbondForce · efa678e0
  Peter Eastman authored Dec 21, 2018
  
  efa678e0
14 Apr, 2017 1 commit
- Fixed bug accessing parameters for CustomHbondForce · 4c17f597
  Peter Eastman authored Apr 14, 2017
  
  4c17f597
24 Sep, 2015 1 commit
- Added default values for some arguments · 1d5c7417
  Peter Eastman authored Sep 24, 2015
  
  1d5c7417
23 Sep, 2015 1 commit
- Added error checking for illegal variable names · 213fbc03
  Peter Eastman authored Sep 23, 2015
  
  213fbc03
22 Sep, 2015 1 commit
- Continuing to refactor tests · 4ed151e1
  Peter Eastman authored Sep 22, 2015
  
  4ed151e1
19 Mar, 2015 1 commit
- Simplification to reference platform tests · f66c9b61
  peastman authored Mar 19, 2015
  
  f66c9b61
30 Dec, 2014 1 commit
- Add tests for the new usesPeriodicBoundaryConditions API function to the · 31d0d857
  Jason Swails authored Dec 30, 2014
```
Reference platform.
```
  31d0d857
31 Jan, 2014 1 commit
- Renamed methods for dealing with TabulatedFunctions to avoid problems in... · 75a04e7f
  peastman authored Jan 31, 2014
```
Renamed methods for dealing with TabulatedFunctions to avoid problems in wrapper APIs.  Also fixed a few bugs.
```
  75a04e7f
07 Jun, 2012 1 commit
- Implemented updateParametersInContext() for five more Force classes · 99cebd08
  Peter Eastman authored Jun 07, 2012
  
  99cebd08
31 Jan, 2012 1 commit
- Added index bounds checking to lots of methods · a566a074
  Peter Eastman authored Jan 31, 2012
  
  a566a074
22 Mar, 2011 1 commit
- Trying to use an Integrator for multiple Contexts produces an exception · 7d4b549d
  Peter Eastman authored Mar 22, 2011
  
  7d4b549d
11 Oct, 2010 1 commit
- Custom functions are now represented by natural splines · 4e1e1b11
  Peter Eastman authored Oct 11, 2010
  
  4e1e1b11
10 May, 2010 1 commit
- Moved SFMT into libraries folder, and restructured it to allow multiple... · b06fc4a7
  Peter Eastman authored May 10, 2010
```
Moved SFMT into libraries folder, and restructured it to allow multiple independent random number generators
```
  b06fc4a7
14 Apr, 2010 1 commit
- OpenCL version of CustomHbondForce is now complete (except for exclusions) · 6ba9a156
  Peter Eastman authored Apr 14, 2010
  
  6ba9a156
29 Mar, 2010 1 commit
- Fixed compilation error under some versions of gcc · 22736b07
  Peter Eastman authored Mar 29, 2010
  
  22736b07
05 Mar, 2010 1 commit
- Redesigned CustomHbondForce to be more general · be137f98
  Peter Eastman authored Mar 05, 2010
  
  be137f98
23 Feb, 2010 1 commit
- Implemented CustomHbondForce, including reference implementation. · 140081ec
  Peter Eastman authored Feb 23, 2010
  
  140081ec