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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d47ea1de35
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Unified storage of global parameters (#5002)
* Unified storage of global parameters
* Fixes to CUDA and HIP
* Store global parameters as real instead of float
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2025-07-09 14:57:06 -07:00 |
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peastman
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aee84c82b1
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Completed OpenCL implementation of CustomCVForce
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2017-06-15 12:19:06 -07:00 |
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Peter Eastman
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8d293880fd
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Parallelized the code for downloading positions
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2016-02-04 10:20:27 -08:00 |
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Peter Eastman
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3a0fa3b268
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Created property for disabling the PME stream
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2016-01-20 16:11:54 -08:00 |
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Peter Eastman
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feb0368f3d
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Fixed a test case that occasionally failed
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2014-01-15 16:02:11 -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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peastman
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f2548616f2
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OpenCL platform can use the CPU based PME
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2013-06-27 13:56:54 -07:00 |
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Peter Eastman
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74ba76fc71
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Workaround for bug in AMD's OpenCL for Linux
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2013-04-23 00:21:34 +00:00 |
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Peter Eastman
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99bca8c184
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Fixed compilation errors on Windows
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2012-11-05 20:00:26 +00:00 |
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Peter Eastman
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3c8adf0c91
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OpenCL and CUDA tests are run three times, once for each precision model
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2012-10-31 18:51:23 +00:00 |
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Peter Eastman
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8cc22e17a3
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Added Context::applyVelocityConstraints() and Context::setVelocitiesToTemperature()
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2012-10-30 20:24:04 +00:00 |
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Peter Eastman
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8d6a2a0129
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Beginnings of mixed/double precision support in OpenCL
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2012-10-16 00:33:25 +00:00 |
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Peter Eastman
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1107aa83ca
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OpenCLArray is no longer templatized and doesn't provide a host buffer. This is in preparation for adding mixed/double precision support.
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2012-10-10 22:04:57 +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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fcdba25c0b
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Fixed bugs in checkpointing
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2012-05-11 23:06:02 +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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6660be2ff1
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Added OpenCLPlatformIndex property for selecting platform
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2011-10-27 18:28:11 +00:00 |
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Peter Eastman
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b51a1b3c7b
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Continuing to implement multi-GPU support
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2011-04-23 00:05:17 +00:00 |
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Peter Eastman
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e861abbc49
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Began implementing multi-GPU support
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2011-04-21 22:55:36 +00:00 |
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Peter Eastman
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20b0264124
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Put more reasonable tolerances into test case for random number generator
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2009-11-17 22:20:53 +00:00 |
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Peter Eastman
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cc5467e7c7
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Created OpenCL implementations of AndersenThermostat and BrownianIntegrator. Also fixed some bugs.
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2009-11-06 21:40:15 +00:00 |
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Peter Eastman
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d4d5e5c860
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Bug fix
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2009-09-29 23:18:52 +00:00 |
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Peter Eastman
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ebbc40e3f3
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Created OpenCL implementations of SETTLE and LangevinIntegrator (not yet fully debugged).
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2009-09-29 22:04:30 +00:00 |
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