Commits · a402046652cab8ba297aa423e4cb57c904525144 · tsoc / openmm · GitLab

14 Jul, 2009 4 commits
- Renamed OpenMMContext to Context · a4020466
  Peter Eastman authored Jul 14, 2009
  
  a4020466
- Allow the user to specify the reaction field dielectric constant · 95b8dbd6
  Peter Eastman authored Jul 14, 2009
  
  95b8dbd6
- Fixed bugs in AndersenThermostat and CMMotionRemover · e06e0ea7
  Peter Eastman authored Jul 14, 2009
  
  e06e0ea7
- Began writing OpenMM Theory Guide · dfd14586
  Peter Eastman authored Jul 14, 2009
  
  dfd14586
11 Jul, 2009 1 commit
- No commit message · 5affec26
  Joy Ku authored Jul 11, 2009
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No commit message
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  5affec26
10 Jul, 2009 6 commits
- Changed a few method signatures to make them easier to wrap · bf3a4db6
  Peter Eastman authored Jul 10, 2009
  
  bf3a4db6
- Changed a few method signatures to make them easier to wrap · fa2c4192
  Peter Eastman authored Jul 10, 2009
  
  fa2c4192
- Created VariableLangevinIntegrator · 952cfb5f
  Peter Eastman authored Jul 10, 2009
  
  952cfb5f
- Fixed a bug in Platform::getDefaultPluginsDirectory() introduced by earlier checkin · e16784d3
  Peter Eastman authored Jul 10, 2009
  
  e16784d3
- Fixed some MSVC conversion warnings and moved method-local inclusion of pme.h... · 4cde8c54
  Michael Sherman authored Jul 10, 2009
```
Fixed some MSVC conversion warnings and moved method-local inclusion of pme.h up to start of LJ file -- it wouldn't compile when included locally due to attempt to match extern binding with anonymous struct type.
```
  4cde8c54
- Fix some MSVC compiler warnings and a bug in the MSVC case for getDefaultPluginsDirectory(). · e391509f
  Michael Sherman authored Jul 10, 2009
  
  e391509f
09 Jul, 2009 4 commits
- Minor API changes · bf2a390b
  Peter Eastman authored Jul 09, 2009
  
  bf2a390b
- Set flag set for static compile of OpenMMCuda on Windows (cudpp references in *cu files) · de099a02
  Mark Friedrichs authored Jul 09, 2009
  
  de099a02
- Set flag set for static compile of OpenMMCuda on Windows (cudpp references in *cu files) · 4890b56f
  Mark Friedrichs authored Jul 09, 2009
  
  4890b56f
- Removed wrong include line in openmmapi/src/NonbondedForce.cpp · d1b148cd
  Rossen Apostolov authored Jul 09, 2009
  
  d1b148cd
08 Jul, 2009 2 commits
- Added a dummy argument to constructors in Fortran examples because Mark... · 12dddb6f
  Michael Sherman authored Jul 08, 2009
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Added a dummy argument to constructors in Fortran examples because Mark Williamson's compiler didn't like them with no argument.
```
  12dddb6f
- Implemented VariableVerletIntegrator::stepTo() · 3adfe31f
  Peter Eastman authored Jul 08, 2009
  
  3adfe31f
07 Jul, 2009 5 commits
- Changed to a public domain license for the fftpack files · 63539a8b
  Rossen Apostolov authored Jul 07, 2009
  
  63539a8b
- No commit message · 2669ec5d
  Rossen Apostolov authored Jul 07, 2009
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No commit message
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  2669ec5d
- Changed to BSD license for the fftpack files · 8469bd0e
  Rossen Apostolov authored Jul 07, 2009
  
  8469bd0e
- Added a "replace" flag to NonbondedForce::addException() · 96550721
  Peter Eastman authored Jul 07, 2009
  
  96550721
- Implemented the PME method in the reference platform. · c66dd5a3
  Rossen Apostolov authored Jul 07, 2009
  
  c66dd5a3
02 Jul, 2009 2 commits
- Bug fix to selection of Ewald parameters · a5f8fb35
  Peter Eastman authored Jul 02, 2009
  
  a5f8fb35
- Automatically select Ewald parameters based on error tolerance · 83d57922
  Peter Eastman authored Jul 02, 2009
  
  83d57922
01 Jul, 2009 3 commits
- Optimizations to Ewald summation · 9eb02774
  Peter Eastman authored Jul 01, 2009
  
  9eb02774
- Added missing "const". · cfafe7f2
  Michael Sherman authored Jul 01, 2009
  
  cfafe7f2
- Added wrappers for AndersenThermostat. · df7f942c
  Michael Sherman authored Jul 01, 2009
  
  df7f942c
30 Jun, 2009 4 commits
- Optimizations to Ewald summation (in progress) · 705ec545
  Peter Eastman authored Jun 30, 2009
  
  705ec545
- Cleaned up a few details of the Ewald code · 530e4ea0
  Peter Eastman authored Jun 30, 2009
  
  530e4ea0
- Fix OSX link problem for C examples as reported by Kim Branson. · 8382f88c
  Michael Sherman authored Jun 30, 2009
  
  8382f88c
- Fixed CUDA implementation of O(n^3/2) Ewald · 96f3680d
  Peter Eastman authored Jun 30, 2009
  
  96f3680d
29 Jun, 2009 9 commits
- Force CMake to include C++ libraries when building a static C main program. · 86a4baba
  Michael Sherman authored Jun 29, 2009
  
  86a4baba
- Updated VS solution for Argon in C to use the CWrapper library. · dee9f78c
  Michael Sherman authored Jun 29, 2009
  
  dee9f78c
- Top level CMakeLists: got rid of "if hell is frozen over" code; eliminated some CMake warnings. · 32f1c09f
  Michael Sherman authored Jun 29, 2009
```
Examples: now builds CWrappers as a library; modified C builds to use it; added visual studio project to build Argon example in Fortran.
System.h: addForce() wasn't returning the index.
```
  32f1c09f
- Optimization to variable Verlet integrator · 38e8a8b4
  Peter Eastman authored Jun 29, 2009
  
  38e8a8b4
- Added some Intel Fortran instructions; deleted obsolete Mac-specific makefile. · 8bb0400f
  Michael Sherman authored Jun 29, 2009
  
  8bb0400f
- Added an NMake file for command line building with Microsoft CL and Intel Fortran. · 38d293e4
  Michael Sherman authored Jun 29, 2009
  
  38d293e4
- Simplified object type declarations requiring change to Fortran examples. · a85f524f
  Michael Sherman authored Jun 29, 2009
  
  a85f524f
- Missed one. · e0dbe15b
  Michael Sherman authored Jun 29, 2009
  
  e0dbe15b
- Modify Fortran examples to reflect signature changes. · 83e5bc34
  Michael Sherman authored Jun 29, 2009
  
  83e5bc34