Commits · ccb83f1db93e6329cdcbb72f2210875b856fdbcd · tsoc / openmm

23 Sep, 2025 1 commit

Evan Pretti authored Sep 23, 2025

* Replace SimTK-containing file headers

* Update file headers for new Tinker reader files added

05472c9a

14 Jul, 2023 1 commit
- Fix bug in CpuNeighborList::Voxels::getVoxelIndex() (#4144) · 007ab83d
  Dirtyworker authored Jul 14, 2023
  
  007ab83d
17 May, 2022 1 commit
- Very minor optimizations (#3602) · 109f6b25
  Peter Eastman authored May 17, 2022
  
  109f6b25
17 Apr, 2022 1 commit

Vectorize nonbonded interactions with no cutoff (#3575) · db4cefd4

Peter Eastman authored Apr 17, 2022

* Vectorize NonbondedForce with no cutoff

* Vectorize CustomNonbondedForce with no cutoff

* Memory efficient dense neighbor list

* Fixed errors

db4cefd4

28 Jan, 2021 1 commit
- Workaround for bug in GCC 9 on PPC (#2998) · eff1f26e
  Peter Eastman authored Jan 28, 2021
  
  eff1f26e
09 Jun, 2020 1 commit
- CPU: Added support for AVX2. · 170ac691
  Daniel Towner authored Jun 09, 2020
  
  170ac691
18 May, 2020 1 commit

CPU: Widen mask for exclusion bits (#2676) · dbc94d89

Daniel Towner authored May 18, 2020

The exclusion mask was 8-bits wide, but future CPU support will require
more bits than this (e.g., AVX-512 will be 16-bit).

dbc94d89

01 Nov, 2019 1 commit
- Prevent memory from exploding when particles get too spread out · 9930e6f6
  peastman authored Nov 01, 2019
  
  9930e6f6
25 Jul, 2018 1 commit
- Replaced gmx_atomic with C++ atomic · 72bfef12
  peastman authored Jul 25, 2018
  
  72bfef12
06 Mar, 2017 1 commit
- Use C++11 style loops · d314e695
  peastman authored Mar 06, 2017
  
  d314e695
15 Feb, 2017 1 commit
- Use lambdas for thread pool tasks · 859bfd6c
  peastman authored Feb 15, 2017
  
  859bfd6c
13 Jan, 2017 1 commit
- Eliminated RealOpenMM type · a783b996
  peastman authored Jan 13, 2017
  
  a783b996
05 May, 2016 1 commit
- CPU platform shares neighbor list between forces · 57812e24
  peastman authored May 05, 2016
  
  57812e24
26 Feb, 2016 1 commit
- Fixed a bug in CPU neighbor list with triclinic boxes · a4f7077b
  peastman authored Feb 26, 2016
  
  a4f7077b
02 Feb, 2016 1 commit
- Fixed a rare segfault in CPU platform · ad8c2627
  peastman authored Feb 02, 2016
  
  ad8c2627
27 Oct, 2015 1 commit
- Minor optimizations to CPU neighbor list · 6552f806
  peastman authored Oct 27, 2015
  
  6552f806
28 Sep, 2015 1 commit
- Further optimizations to CPU platform · 40947735
  peastman authored Sep 28, 2015
  
  40947735
06 Jul, 2015 1 commit
- Reverted an incorrect optimization · f515733e
  peastman authored Jul 06, 2015
  
  f515733e
10 Apr, 2015 1 commit
- Optimizations to neighbor list construction · 95423468
  peastman authored Apr 10, 2015
  
  95423468
17 Dec, 2014 1 commit
- Continuing to implement triclinic boxes in CPU platform · 78e5f13a
  peastman authored Dec 16, 2014
  
  78e5f13a
16 Dec, 2014 1 commit
- CpuNeighborList correctly handles triclinic boxes · 4193a416
  peastman authored Dec 16, 2014
  
  4193a416
14 May, 2014 1 commit
- Preliminary support for ARM/Android. · 454caac9
  peastman authored May 14, 2014
  
  454caac9
08 Jan, 2014 1 commit
- Fixed lots of compilation errors on Windows · 72e81e04
  Peter Eastman authored Jan 08, 2014
  
  72e81e04
17 Dec, 2013 1 commit
- Created AVX implementation of CPU nonbonded force · e22808f3
  peastman authored Dec 16, 2013
  
  e22808f3
10 Dec, 2013 1 commit
- Minor optimizations to CPU platform · 9ec4f597
  peastman authored Dec 10, 2013
  
  9ec4f597
04 Dec, 2013 1 commit
- Enforce memory alignment to improve performance of vector operations. Also... · b1be68d8
  peastman authored Dec 04, 2013
```
Enforce memory alignment to improve performance of vector operations.  Also fixed bugs in an earlier optimization.
```
  b1be68d8
03 Dec, 2013 1 commit
- Optimization to building neighbor list on CPU platform · 56cf0fde
  peastman authored Dec 03, 2013
  
  56cf0fde
04 Nov, 2013 1 commit
- Bug fixes · 7b608514
  peastman authored Nov 04, 2013
  
  7b608514
30 Oct, 2013 1 commit
- Minor optimizations to CPU platform: avoid applying periodic boundary conditions unnecessarily · 62c64e3c
  peastman authored Oct 30, 2013
  
  62c64e3c
29 Oct, 2013 1 commit
- Created ThreadPool to simplify parallel code · f3fe550a
  peastman authored Oct 29, 2013
  
  f3fe550a
24 Oct, 2013 1 commit
- Minor optimizations to CPU platform · a5bcc4be
  peastman authored Oct 24, 2013
  
  a5bcc4be
23 Oct, 2013 2 commits
- Minor optimizations to neighbor list construction · 6ad86974
  peastman authored Oct 23, 2013
  
  6ad86974
- Optimized algorithm for building neighbor list. · f301042f
  peastman authored Oct 23, 2013
  
  f301042f
22 Oct, 2013 1 commit
- Restructured nonbonded calculation to allow more efficient vectorization · 56902b45
  peastman authored Oct 22, 2013
  
  56902b45
21 Oct, 2013 1 commit
- Created vector classes to simplify SSE code · 6eacad45
  peastman authored Oct 21, 2013
  
  6eacad45
15 Oct, 2013 3 commits
- Bug fix · 2943d628
  peastman authored Oct 15, 2013
  
  2943d628
- Bug fix, plus a minor optimization to reference platform · dd175b23
  peastman authored Oct 15, 2013
  
  dd175b23
- Assorted optimizations · 79011828
  peastman authored Oct 14, 2013
  
  79011828
14 Oct, 2013 1 commit
- Fixed a race condition · 9491eb72
  peastman authored Oct 14, 2013
  
  9491eb72
10 Oct, 2013 1 commit
- Separated hardware query functions into a separate file. CPU platform checks... · 50d4f9d0
  peastman authored Oct 10, 2013
```
Separated hardware query functions into a separate file.  CPU platform checks for the correct hardware.
```
  50d4f9d0