Commits · f2cdf70afc3ec4f4f0a4fc3aa5ca4761fc994cf1 · tsoc / openmm

13 Jan, 2022 1 commit
- Fix barostat frequency check (#3411) · f2cdf70a
  zhang-ivy authored Jan 13, 2022
```
* fix barostat frequency check

* fix other barostats

* fix error messages
```
  f2cdf70a
18 Oct, 2021 1 commit

Added lots of checks for invalid parameter values (#3286) · 610e92fa

Peter Eastman authored Oct 18, 2021

* Added lots of checks for invalid parameter values

* Fixed test failures

* More checks for incorrect parameters

* Fixed test failures

610e92fa

21 Apr, 2016 1 commit
- Changed mechanism for setting barostat temperature · 50fe7be0
  Peter Eastman authored Apr 21, 2016
  
  50fe7be0
03 Jan, 2015 1 commit

Make it so that getRandomNumberSeed by default returns a osrngseed() result, · 2284ac61

Jason Swails authored Jan 03, 2015

rather than some pre-set seed generated at construction time.

Any call to "setRandomNumberSeed" prevents this behavior (unless the generator
is seeded with 0).

2284ac61

20 May, 2014 2 commits
- separate files · 46b35a36
  Robert McGibbon authored May 19, 2014
  
  46b35a36
- Seed the rng from urandom · 4b1c362c
  Robert McGibbon authored May 19, 2014
  
  4b1c362c
12 Jun, 2013 2 commits
- Placed MonteCarloAnisotropicBarostat into separate files · 93e81862
  Lee-Ping authored Jun 12, 2013
  
  93e81862
- Using a const Vec3& instead of three doubles for the AnisotropicBarostat API. ... · 3dbc4f78
  Lee-Ping authored Jun 12, 2013
```
Using a const Vec3& instead of three doubles for the AnisotropicBarostat API.  Still figuring out SWIG issues.
```
  3dbc4f78
01 Jun, 2013 1 commit
- Removed duplicate kernels, slightly modified API for Python compatibility. · b7a24d6c
  Lee-Ping authored Jun 01, 2013
  
  b7a24d6c
31 May, 2013 1 commit
- Currently in the middle of implementing new version but not finished yet. · 85bf8e99
  Lee-Ping authored May 31, 2013
  
  85bf8e99
29 May, 2013 2 commits
- Changed the variable type of anisotropic from int to bool. · ff4827b4
  Lee-Ping authored May 29, 2013
  
  ff4827b4
- Added anisotropic MC barostat option, allowing x, y, and z lattice vectors to change independently. · 6f09ac01
  Lee-Ping authored May 29, 2013
  
  6f09ac01
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
12 May, 2010 1 commit
- Created MonteCarloBarostat, including reference implementation · 1b99afd7
  Peter Eastman authored May 12, 2010
  
  1b99afd7
21 Apr, 2009 1 commit
- Moved header files into an openmm subdirectory · 644cc275
  Peter Eastman authored Apr 21, 2009
  
  644cc275
20 Feb, 2009 1 commit

Implemented setting random seed for reference platform, as well as adding it... · eb0bba22

Peter Eastman authored Feb 20, 2009

Implemented setting random seed for reference platform, as well as adding it as an option to BrownianIntegrator and AndersenThermostat.

eb0bba22

04 Nov, 2008 1 commit
- Implemented dynamic loading of platforms from DLLs. Also fixed a lot of... · a416009a
  Peter Eastman authored Nov 04, 2008
```
Implemented dynamic loading of platforms from DLLs.  Also fixed a lot of compilation errors and warnings under Windows.
```
  a416009a
13 May, 2008 1 commit

Modified the initialization order of ForceImpls to prevent them from trying to... · 3d750e85

Peter Eastman authored May 13, 2008

Modified the initialization order of ForceImpls to prevent them from trying to initialize themselves before the Platform had been chosen

3d750e85

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