Commits · a3909c8eb8270af8014a6d5fd22aeb12d47db40a · tsoc / openmm

23 Apr, 2025 1 commit

Add correction for self energy of neutralizing plasma (#4907) · a3909c8e

Peter Eastman authored Apr 23, 2025

* Add correction for self energy of neutralizing plasma

* Fixed compilation errors

* Update total charge in copyParametersToContext()

* Bug fixes

* Fixed compilation errors in HIP

* Bug fix

a3909c8e

10 Jan, 2022 1 commit
- Fixed uninitialized memory access (#3399) · 6eabb453
  Peter Eastman authored Jan 10, 2022
  
  6eabb453
20 Nov, 2021 1 commit
- Fixed errors when running on multiple GPUs (#3340) · ed9df876
  Peter Eastman authored Nov 19, 2021
  
  ed9df876
19 Mar, 2021 1 commit
- Converted more code to common platform (#3073) · 98d81730
  Peter Eastman authored Mar 19, 2021
```
* Converted more code to common platform

* Converted more code to common platform
```
  98d81730
18 Aug, 2020 1 commit

Updated to latest values for physical constants (#2802) · b4543a46

peastman authored Aug 18, 2020

* Updated to latest values for physical constants

* Updated documentation on physical constants

* Updated Python unit definitions

* Fixed constants in test case

* Added a comment

b4543a46

11 Jun, 2019 1 commit
- Fixed race condition · dbbf7c3e
  Peter Eastman authored Jun 11, 2019
  
  dbbf7c3e
07 Jun, 2019 1 commit
- Revised how exclusions are computed with PME · da28ce0e
  Peter Eastman authored Jun 07, 2019
  
  da28ce0e
09 Feb, 2019 1 commit
- Fixed inconsistency in computing Ewald self energy · e9a2857a
  Peter Eastman authored Feb 08, 2019
  
  e9a2857a
26 Jun, 2018 1 commit
- CUDA implementation of parameter offsets for NonbondedForce · 7c6f0b4b
  Peter Eastman authored Jun 26, 2018
  
  7c6f0b4b
25 Jun, 2018 2 commits
- Fixes and minor improvements · 7ebaa816
  Peter Eastman authored Jun 25, 2018
  
  7ebaa816
- OpenCL implementation of parameter offsets for NonbondedForce · 73714806
  peastman authored Jun 25, 2018
  
  73714806