Evan Pretti
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05472c9a81
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Update file headers (#5074)
* Replace SimTK-containing file headers
* Update file headers for new Tinker reader files added
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2025-09-23 10:27:26 -07:00 |
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Peter Eastman
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2f553a66c6
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Continuing to refactor tests
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2015-09-23 11:37:06 -07:00 |
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peastman
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f66c9b6184
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Simplification to reference platform tests
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2015-03-19 13:41:06 -07:00 |
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peastman
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83ed602e8d
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Merge pull request #797 from peastman/triclinic
C++ libraries support triclinic boxes
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2015-02-05 19:39:56 -08:00 |
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Jason Swails
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b8f6d26996
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Changes to bring in line with SimTK style guide.
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2015-01-02 19:20:00 -05:00 |
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Jason Swails
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31d0d857bf
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Add tests for the new usesPeriodicBoundaryConditions API function to the
Reference platform.
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2014-12-30 00:08:29 -05:00 |
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peastman
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e2977b9131
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Began implementing triclinic boxes in reference platform
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2014-12-02 14:33:50 -08:00 |
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peastman
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300758a54e
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Platform specific header files get installed. This allows plugins to be built with just an OpenMM installation, not a full source tree.
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2013-07-08 16:34:35 -07:00 |
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Peter Eastman
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21847f4a12
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Began implementing switching function for Lennard-Jones
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2013-05-04 00:46:13 +00:00 |
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Peter Eastman
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93c467b21f
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Merged 5.1Optimizations branch back to trunk
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2013-03-22 21:21:21 +00:00 |
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Peter Eastman
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59b0c5fa7f
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Implemented updateParametersInContext() for NonbondedForce
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2012-05-31 21:43:41 +00:00 |
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Peter Eastman
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a566a07487
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Added index bounds checking to lots of methods
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2012-01-31 00:07:41 +00:00 |
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Peter Eastman
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dd1a959bcf
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Long range dispersion correction is enabled by default
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2010-06-21 17:57:50 +00:00 |
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Peter Eastman
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5228a07e1a
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Implemented long range dispersion correction
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2010-06-18 01:49:26 +00:00 |
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Peter Eastman
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bcc6216dd0
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Periodic box dimensions can be changed in the middle of a simulation
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2010-05-07 20:48:48 +00:00 |
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Peter Eastman
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b97ff259db
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All platforms now handle nonbonded exceptions in a consistent way (they ignore cutoffs and periodic boundary conditions). Also started OpenCL implementation of CustomHbondForce.
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2010-04-01 19:02:41 +00:00 |
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Peter Eastman
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042ab1aa8d
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Use a consistent (and more accurate) value for electric constant everywhere. Also cleaned up handling of constants and units in various places.
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2009-12-11 22:33:48 +00:00 |
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Rossen Apostolov
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68ef42c078
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New tests for Ewald and PME on both Reference and Cuda platforms.
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2009-09-21 13:49:39 +00:00 |
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Peter Eastman
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15811b7c56
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Periodic box size is specified by System rather than NonbondedForce
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2009-09-12 00:46:43 +00:00 |
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Mark Friedrichs
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4e141906e9
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Added Ewald test (same as Cuda version)
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2009-08-12 00:20:10 +00:00 |
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Peter Eastman
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a402046652
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Renamed OpenMMContext to Context
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2009-07-14 21:46:06 +00:00 |
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Peter Eastman
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95b8dbd625
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Allow the user to specify the reaction field dielectric constant
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2009-07-14 21:13:58 +00:00 |
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Peter Eastman
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644cc275ab
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Moved header files into an openmm subdirectory
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2009-04-21 20:52:40 +00:00 |
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Peter Eastman
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64493da664
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Modified the API for lots of classes so that the number of particles/bonds/etc. need not be specified in the constructor.
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2009-04-17 23:19:00 +00:00 |
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Peter Eastman
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29e3fa5762
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Redesigned the API for specifying exclusions and 1-4 interactions.
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2009-04-17 20:42:25 +00:00 |
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Peter Eastman
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62c4fd533a
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Renamed "atoms" to "particles"
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2008-10-22 22:07:53 +00:00 |
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Peter Eastman
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ad75a39079
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Split StandardMMForceField into separate classes for each force term.
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2008-10-22 21:31:24 +00:00 |
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