- 28 Feb, 2021 1 commit
-
-
Peter Eastman authored
* Began implementing geometric functions on points * Started common implementation of point functions * Completed implementation of point functions for CustomCompoundBondForce * Implemented point functions for CustomCentroidBondForce * Implemented point functions for CustomManyParticleForce * Use point functions to simplify implementation of custom forces * Removed unnecessary code * Fixed typo
-
- 09 Feb, 2021 1 commit
-
-
Peter Eastman authored
-
- 25 Nov, 2020 1 commit
-
-
peastman authored
-
- 18 Aug, 2020 1 commit
-
-
peastman authored
* Updated to latest values for physical constants * Updated documentation on physical constants * Updated Python unit definitions * Fixed constants in test case * Added a comment
-
- 28 Jul, 2020 1 commit
-
-
peastman authored
-
- 24 Jun, 2020 1 commit
-
-
Charlles Abreu authored
-
- 06 May, 2020 1 commit
-
-
peastman authored
* Cleaned up checkpointing code for NoseHooverIntegrator * Fixed compilation error
-
- 05 May, 2020 1 commit
-
-
peastman authored
* Fixed OpenCL compiler errors * Fixed incorrect references to BAOAB * Fixed a method that was incorrectly made public
-
- 04 May, 2020 1 commit
-
-
Andy Simmonett authored
* Convert Nose-Hoover into LF middle scheme by copying NH kernels * Rebrand VelocityVerletIntegrator as NoseHooverIntegrator * Consolidate NH tests * NoseHooverChainKernel begone * Make Windows builds happy * Add missing header for Windows build * Fix mistake in CommonKernels header * Add 6th Yoshida-Suzuki and make it the default
-
- 28 Mar, 2020 2 commits
-
-
Charlles Abreu authored
-
Charlles Abreu authored
-
- 25 Mar, 2020 1 commit
-
-
Charlles Abreu authored
-
- 21 Feb, 2020 1 commit
-
-
peastman authored
-
- 14 Feb, 2020 1 commit
-
-
Peter Eastman authored
-
- 04 Feb, 2020 1 commit
-
-
Peter Eastman authored
-
- 19 Nov, 2019 1 commit
-
-
peastman authored
-
- 07 Nov, 2019 1 commit
-
-
Andy Simmonett authored
-
- 24 Oct, 2019 6 commits
-
-
Andy Simmonett authored
-
Andy Simmonett authored
-
Andy Simmonett authored
-
Andy Simmonett authored
-
Andy Simmonett authored
-
Andy Simmonett authored
-
- 21 Oct, 2019 1 commit
-
-
peastman authored
-
- 18 Oct, 2019 1 commit
-
-
Peter Eastman authored
-
- 08 Oct, 2019 1 commit
-
-
Peter Eastman authored
-
- 07 Oct, 2019 1 commit
-
-
peastman authored
-
- 11 Sep, 2019 1 commit
-
-
peastman authored
-
- 23 Jul, 2018 2 commits
- 17 Jul, 2018 1 commit
-
-
peastman authored
-
- 03 Jul, 2018 1 commit
-
-
peastman authored
-
- 20 Jun, 2018 1 commit
-
-
peastman authored
-
- 27 Apr, 2018 1 commit
-
-
peastman authored
-
- 22 Jan, 2018 1 commit
-
-
peastman authored
-
- 15 Jun, 2017 1 commit
-
-
peastman authored
-
- 08 Jun, 2017 1 commit
-
-
peastman authored
-
- 13 Jan, 2017 1 commit
-
-
peastman authored
-
- 19 Dec, 2016 2 commits
-
-
Andy Simmonett authored
o Added C12 shift term, to match GMX. o Added tests to compare energies and forces directly to GMX, with and without exclusions. o Modified set/get LJPME parameters to look similar to electrostatic equivalents.
-
Andy Simmonett authored
-