30 Commits

Author	SHA1	Message	Date
Evan Pretti	05472c9a81	Update file headers (#5074) ... * Replace SimTK-containing file headers * Update file headers for new Tinker reader files added	2025-09-23 10:27:26 -07:00
Peter Eastman	ccd811da22	Continuing to refactor tests	2015-09-22 12:38:44 -07:00
peastman	f66c9b6184	Simplification to reference platform tests	2015-03-19 13:41:06 -07:00
peastman	f72062af63	Deleted obsolete debugging code	2015-02-20 16:13:37 -08:00
peastman	7fb10336a1	Cleaned up lots of formatting to be more consistent with the rest of OpenMM	2015-02-20 15:19:50 -08:00
Jason Swails	b8f6d26996	Changes to bring in line with SimTK style guide.	2015-01-02 19:20:00 -05:00
Jason Swails	31d0d857bf	Add tests for the new usesPeriodicBoundaryConditions API function to the ... Reference platform.	2014-12-30 00:08:29 -05:00
peastman	75a04e7f43	Renamed methods for dealing with TabulatedFunctions to avoid problems in wrapper APIs. Also fixed a few bugs.	2014-01-31 13:21:14 -08:00
peastman	44e65cb121	Fixed a bug in OpenCL implementation of CustomGBForce	2014-01-10 16:21:04 -08:00
peastman	b245e77212	GBSAOBCForce adds an offset to the energy to reduce the discontinuity at the cutoff	2013-08-26 17:13:54 -07:00
Peter Eastman	aefe9a9f63	Improved test cases: use symmetric difference to approximate force instead of one sided difference	2013-03-29 22:28:41 +00:00
Peter Eastman	99cebd08f8	Implemented updateParametersInContext() for five more Force classes	2012-06-07 18:58:56 +00:00
Peter Eastman	a566a07487	Added index bounds checking to lots of methods	2012-01-31 00:07:41 +00:00
Peter Eastman	4e1e1b1162	Custom functions are now represented by natural splines	2010-10-11 20:06:01 +00:00
Peter Eastman	ba2503b5d1	Fixed bugs in CustomGBForce	2010-06-09 18:19:41 +00:00
Peter Eastman	1ace781412	Fixed bugs related to exclusions in CustomGBForce	2010-06-02 22:05:25 +00:00
Peter Eastman	bc025a7be0	Bug fixes to CustomGBForce	2010-05-25 23:59:29 +00:00
Peter Eastman	b06fc4a7a4	Moved SFMT into libraries folder, and restructured it to allow multiple independent random number generators	2010-05-10 20:39:57 +00:00
Peter Eastman	c742d7ff4b	Expanded test cases for CustomGBForce	2010-05-07 21:33:38 +00:00
Peter Eastman	bcc6216dd0	Periodic box dimensions can be changed in the middle of a simulation	2010-05-07 20:48:48 +00:00
Mark Friedrichs	ba23b627e8	Factor of 1/(4*pi*eps0) does not belong in GB/VI nonpolar term	2010-05-06 01:16:40 +00:00
Christopher Bruns	0094d14ba0	Added include to get TestReferenceCustomGBForce to compile on Windows.	2010-05-05 22:56:13 +00:00
Mark Friedrichs	35be4eb200	Added GB/VI test caes	2010-05-05 22:46:49 +00:00
Peter Eastman	43e6e68c83	CustomGBForce allows single-particle values to depend on position	2010-05-05 20:35:48 +00:00
Peter Eastman	1763a7647a	Fixed bug in computing chain rule terms for CustomGBForce	2010-05-04 00:20:13 +00:00
Peter Eastman	a5e272e29e	min(), max(), and abs() can appear in expressions	2010-04-16 23:51:50 +00:00
Peter Eastman	3e0925fe90	Bug fixes	2009-12-18 01:36:21 +00:00
Peter Eastman	3a6d79b342	Finished reference implementation of CustomGBForce	2009-11-25 21:41:22 +00:00
Peter Eastman	4747b0f2ea	Continuing implementation of CustomGBForce	2009-11-25 19:39:28 +00:00
Peter Eastman	b5edab67df	Preliminary implementation of CustomGBForce	2009-11-24 01:55:52 +00:00