1. 04 Aug, 2025 1 commit
  2. 02 Aug, 2023 1 commit
    • Emilio Gallicchio's avatar
      Draft integration of the Alchemical Transfer Method (ATM) plugin (#4110) · d8c67699
      Emilio Gallicchio authored
      * Draft integration of the Alchemical Transfer Method (ATM) plugin
      
      * Attempt to store and retrieve forces--does not compile
      
      * Implement addForce()/getForce() methods
      
      * Throw exception when specifying properties without a Platform (#4130)
      
      * Fixed DOF calculation for NoseHooverIntegrator (#4128)
      
      * Fix variance in documentation of VerletIntegrator (#4138)
      
      * Python API for ATMForce
      
      * Fixed compilation error
      
      * Minor cleanup of formatting and documentation
      
      * Files for ATMForce test cases
      
      * More cleanup
      
      * Removed variable groups
      
      * Test ATMForce with two particles
      
      * More tests for ATMForce plus fixes
      
      * Added missing header
      
      * Rework interface to pass displacements as vector of parameters
      
      * Revert "Rework interface to pass displacements as vector of parameters"
      
      This reverts commit 5e092031f31ded1137b677588f007add1c2d6f82.
      
      * Test with nonbonded force
      
      * Allow energy expression to be custom...
      d8c67699
  3. 01 Jul, 2019 1 commit
  4. 27 Aug, 2015 1 commit
  5. 12 Aug, 2015 1 commit
  6. 19 Nov, 2014 1 commit
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  8. 23 Jul, 2014 1 commit
  9. 05 Dec, 2013 1 commit
  10. 21 Aug, 2013 1 commit
  11. 05 Apr, 2012 1 commit
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  14. 17 Jun, 2011 1 commit
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  16. 24 Aug, 2009 1 commit
  17. 19 Aug, 2009 4 commits
  18. 23 Jul, 2009 1 commit
    • Michael Sherman's avatar
      Upgrade examples to track Peter's automatically-generated C and Fortran... · c6c034ba
      Michael Sherman authored
      Upgrade examples to track Peter's automatically-generated C and Fortran bindings. These are still using a snapshot of the wrappers, slightly hand modified, but they are much closer to the final ones now. When the automated ones are ready and part of the build, these checked-in ones will no longer be necessary.
      c6c034ba
  19. 30 Jun, 2009 1 commit
  20. 29 Jun, 2009 2 commits
  21. 25 Jun, 2009 1 commit
    • Michael Sherman's avatar
      Fixed some portability problems that show up in · c5329db5
      Michael Sherman authored
      - MingW, where "WIN32" is set by CMake but the compiler is not Microsoft's (should use _MSC_VER) in that case, and 
      - in gcc 4.4 which is fussy about some issues that earlier versions were silent about, such as passing a string constant to a "char*" rather than a "const char*".
      I also fixed a syntax error in CMakeLists that showed up in the OpenMM workshop for some unknown reason.
      
      Brook is not currently building correctly; I think it has not yet been fully converted to the getTime() interface needed for variable step integrators.
      c5329db5
  22. 18 Jun, 2009 3 commits
  23. 11 Jun, 2009 1 commit
  24. 10 Jun, 2009 1 commit
  25. 14 May, 2009 1 commit