Commits · 1cb85ba3a281d153afc379a31f3fd54d4b0434a9 · tsoc / openmm

21 Sep, 2012 1 commit
- Can use OPENMM_CUDA_COMPILER environment variable to set the path to the CUDA compiler · 20e01186
  Peter Eastman authored Sep 21, 2012
  
  20e01186
11 Sep, 2012 1 commit
- Minor cleanup to PME · 235a88e5
  Peter Eastman authored Sep 11, 2012
  
  235a88e5
10 Sep, 2012 1 commit
- Committing FFTWs to work with complex conjugate arrays. Decoupled energy and... · b27a0bd6
  Yutong Zhao authored Sep 10, 2012
```
Committing FFTWs to work with complex conjugate arrays. Decoupled energy and force calculation into two separate kernels.
```
  b27a0bd6
07 Sep, 2012 1 commit
- fixed sigmaEpsilon padding errors. Gets rid of computeNonbonded cuda-memcheck errors · 9fffe6da
  Yutong Zhao authored Sep 07, 2012
  
  9fffe6da
29 Aug, 2012 1 commit

Continuing to convert AmoebaMultipoleForce: implemented routines to get system... · 5c071a07

Peter Eastman authored Aug 29, 2012

Continuing to convert AmoebaMultipoleForce: implemented routines to get system multipole moments and potential at grid points.  Some bug fixes.

5c071a07

21 Aug, 2012 1 commit
- Fixed compilation error on compute level 2.1 GPUs · 3af4da86
  Peter Eastman authored Aug 21, 2012
  
  3af4da86
20 Jul, 2012 1 commit
- Continuing converting AMOEBA to the new CUDA platform: starting on AmoebaMultipoleForce · d0426ba9
  Peter Eastman authored Jul 20, 2012
  
  d0426ba9
10 Jul, 2012 2 commits
- Implemented mixed precision mode · 18fb6efc
  Peter Eastman authored Jul 10, 2012
  
  18fb6efc
- Set default cache configuration for the context · 76716f1c
  Peter Eastman authored Jul 10, 2012
  
  76716f1c
06 Jul, 2012 1 commit
- Optimizations to new CUDA platform · 2bb875b0
  Peter Eastman authored Jul 06, 2012
  
  2bb875b0
03 Jul, 2012 2 commits
- New CUDA platform works on Windows · ca7fd533
  Peter Eastman authored Jul 03, 2012
  
  ca7fd533
- Fixed bugs when using double precision · cf112a25
  Peter Eastman authored Jul 03, 2012
  
  cf112a25
02 Jul, 2012 1 commit
- Changed number of nonbonded thread blocks to improve performance · dac874af
  Peter Eastman authored Jul 02, 2012
  
  dac874af
28 Jun, 2012 3 commits
- Use the __popc intrinsic for counting bits · c77af6e9
  Peter Eastman authored Jun 28, 2012
  
  c77af6e9
- Optimization: use mapped memory to communicate when CCMA is converged · f0c2e89c
  Peter Eastman authored Jun 28, 2012
  
  f0c2e89c
- Merged lots of kernels into fewer files to reduce compilation time · 1afb079f
  Peter Eastman authored Jun 28, 2012
  
  1afb079f
27 Jun, 2012 2 commits
- Fixed errors in which destructors were executed in the wrong order · 9353e464
  Peter Eastman authored Jun 27, 2012
  
  9353e464
- Continuing to implement new CUDA platform: CustomGBForce · f6346776
  Peter Eastman authored Jun 27, 2012
  
  f6346776
25 Jun, 2012 1 commit
- Fixed compilation error · 5feaa943
  Peter Eastman authored Jun 25, 2012
  
  5feaa943
22 Jun, 2012 1 commit
- Continuing to implement new CUDA platform: checkpointing, parallelization across multiple devices · 387008ce
  Peter Eastman authored Jun 22, 2012
  
  387008ce
21 Jun, 2012 1 commit
- Continuing to implement new CUDA platform: GBSAOBCForce · 17ae3aae
  Peter Eastman authored Jun 21, 2012
  
  17ae3aae
20 Jun, 2012 4 commits
- Fixed compilation errors · e2fc86ab
  Peter Eastman authored Jun 20, 2012
  
  e2fc86ab
- Bug fixes and additional test cases · fe589755
  Peter Eastman authored Jun 20, 2012
  
  fe589755
- Made the identification of temporary files directory more robust · 16f43ede
  Peter Eastman authored Jun 20, 2012
  
  16f43ede
- Continuing to implement new CUDA platform: CustomNonbondedForce, CustomHbondForce, CustomIntegrator · bd22eada
  Peter Eastman authored Jun 20, 2012
  
  bd22eada
19 Jun, 2012 1 commit
- Continuing to implement new CUDA platform: virtual sites · bf1f6f32
  Peter Eastman authored Jun 19, 2012
  
  bf1f6f32
18 Jun, 2012 1 commit
- Continuing to implement new CUDA platform: AndersenThermostat, MonteCarloBarostat, CMMotionRemover · 6e842d8c
  Peter Eastman authored Jun 18, 2012
  
  6e842d8c
16 Jun, 2012 1 commit

Continuing to implement new CUDA platform: constraints, LangevinIntegrator,... · ecbbf442

Peter Eastman authored Jun 16, 2012

Continuing to implement new CUDA platform: constraints, LangevinIntegrator, BrownianIntegrator, VariableLangevinIntegrator, VariableVerletIntegrator

ecbbf442

15 Jun, 2012 1 commit
- Continuing to implement new CUDA platform: NonbondedForce · 86aacbd8
  Peter Eastman authored Jun 15, 2012
  
  86aacbd8
12 Jun, 2012 1 commit

Continuing to implement new CUDA platform: CustomBondForce, CustomAngleForce,... · eb64fa2f

Peter Eastman authored Jun 12, 2012

Continuing to implement new CUDA platform: CustomBondForce, CustomAngleForce, CustomTorsionForce, CustomExternalForce, CustomCompoundBondForce

eb64fa2f

08 Jun, 2012 2 commits
- Continuing to implement new CUDA platform: HarmonicAngleForce,... · 00c4b747
  Peter Eastman authored Jun 08, 2012
```
Continuing to implement new CUDA platform: HarmonicAngleForce, PeriodicTorsionForce, RBTorsionForce, CMAPTorsionForce
```
  00c4b747
- Continuing to implement new CUDA platform: HarmonicBondForce and VerletIntegrator · 6e434a02
  Peter Eastman authored Jun 08, 2012
  
  6e434a02
07 Jun, 2012 1 commit
- Continuing to implement new CUDA platform · 1f0ec7b5
  Peter Eastman authored Jun 07, 2012
  
  1f0ec7b5
05 Jun, 2012 1 commit
- Continuing to implement new CUDA platform · 3e16cab9
  Peter Eastman authored Jun 05, 2012
  
  3e16cab9
04 Jun, 2012 1 commit
- Very early beginnings of new CUDA platform · abb8cb4b
  Peter Eastman authored Jun 04, 2012
  
  abb8cb4b