Commits · c1f64b3f4f3db51104e0c7c75e259cf0f7cbcfc3 · tsoc / openmm

13 Nov, 2013 1 commit
- Fixed errors on OS X 10.9: link against libc++ instead of libstdc++ · c1f64b3f
  peastman authored Nov 13, 2013
  
  c1f64b3f
07 Nov, 2013 1 commit
- Fixed compilation errors on OS X 10.9 · 9a26412b
  peastman authored Nov 07, 2013
  
  9a26412b
21 Oct, 2013 1 commit
- Created vector classes to simplify SSE code · 6eacad45
  peastman authored Oct 21, 2013
  
  6eacad45
17 Oct, 2013 1 commit
- Added AmoebaMultipoleForce::getInducedDipoles() · 2ff9f475
  peastman authored Oct 17, 2013
  
  2ff9f475
15 Oct, 2013 1 commit
- Prevent segfaults when a simulation blows up · d389e504
  peastman authored Oct 15, 2013
  
  d389e504
10 Oct, 2013 1 commit
- Separated hardware query functions into a separate file. CPU platform checks... · 50d4f9d0
  peastman authored Oct 10, 2013
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Separated hardware query functions into a separate file.  CPU platform checks for the correct hardware.
```
  50d4f9d0
08 Oct, 2013 2 commits
- Lots of code cleanup related to constraints in the reference platform · e68df534
  peastman authored Oct 08, 2013
  
  e68df534
- Added option to omit PILE thermostat from RPMD · 3e36fd7e
  peastman authored Oct 08, 2013
  
  3e36fd7e
07 Oct, 2013 1 commit
- Created reference implementation of SETTLE · bb8c2c6f
  peastman authored Oct 07, 2013
  
  bb8c2c6f
01 Oct, 2013 1 commit
- Ignore constraints that connect two massless particles (feature request 1915) · 803faa81
  peastman authored Oct 01, 2013
  
  803faa81
09 Sep, 2013 1 commit
- Minor code cleanup · 1330af5c
  peastman authored Sep 09, 2013
  
  1330af5c
06 Sep, 2013 1 commit
- Fixed bug in RPMD contractions · a6f4acb6
  peastman authored Sep 06, 2013
  
  a6f4acb6
26 Aug, 2013 1 commit
- Fixed bug in RPMD when using contractions · e59e6f93
  peastman authored Aug 26, 2013
  
  e59e6f93
20 Aug, 2013 2 commits
- cpuid() works correctly on both 32 and 64 bit OSes · 3bbbeb8e
  peastman authored Aug 20, 2013
  
  3bbbeb8e
- Fixed a compilation error on some OSes · a8ff237c
  peastman authored Aug 20, 2013
  
  a8ff237c
19 Aug, 2013 1 commit
- Fixed bug in RPMD contractions · 5e078fdd
  peastman authored Aug 19, 2013
  
  5e078fdd
15 Aug, 2013 2 commits
- Fixed an overly sensitive test case that tended to fail · d74c8d0c
  peastman authored Aug 15, 2013
  
  d74c8d0c
- Fixed crash due to a kernel's arguments having changed · 01622931
  peastman authored Aug 15, 2013
  
  01622931
02 Aug, 2013 1 commit
- Fixed compilation errors on compilers that do not enable SSE by default · c04bc137
  peastman authored Aug 02, 2013
  
  c04bc137
19 Jul, 2013 2 commits
- Improved logic for picking grid size · 1c6bea76
  peastman authored Jul 19, 2013
  
  1c6bea76
- Prevent test case from crashing if the CPU is not supported · dcee8145
  peastman authored Jul 19, 2013
  
  dcee8145
18 Jul, 2013 2 commits
- Fix bug in CMake script · 958b6ec8
  peastman authored Jul 18, 2013
  
  958b6ec8
- Changed CMake scripts to work correctly if the FFTW threading support was... · 451d8c5f
  peastman authored Jul 18, 2013
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Changed CMake scripts to work correctly if the FFTW threading support was built into the main library instead of a separate library
```
  451d8c5f
17 Jul, 2013 1 commit
- Fixed compilation problems on Windows · 8d9ef563
  peastman authored Jul 16, 2013
  
  8d9ef563
15 Jul, 2013 1 commit
- RPMDIntegrator.setPositions() did not take periodic box offsets into account · 09970632
  peastman authored Jul 15, 2013
  
  09970632
09 Jul, 2013 1 commit
- AmoebaMultipoleForce did not report particle groups, which could potentially... · e4beb290
  peastman authored Jul 09, 2013
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AmoebaMultipoleForce did not report particle groups, which could potentially lead to incorrect reordering
```
  e4beb290
08 Jul, 2013 1 commit

Platform specific header files get installed. This allows plugins to be built... · 300758a5

peastman authored Jul 08, 2013

Platform specific header files get installed.  This allows plugins to be built with just an OpenMM installation, not a full source tree.

300758a5

28 Jun, 2013 2 commits
- If FFTW is not found, default to not building the PME plugin. · 794ab9a7
  peastman authored Jun 28, 2013
  
  794ab9a7
- CPU FFT selects grid dimensions that can be handled efficiently. Also lots of minor cleanup. · 9e74c183
  peastman authored Jun 28, 2013
  
  9e74c183
27 Jun, 2013 3 commits
- OpenCL platform can use the CPU based PME · f2548616
  peastman authored Jun 27, 2013
  
  f2548616
- Created a dedicated test case for CPU based PME · 3628d973
  peastman authored Jun 27, 2013
  
  3628d973
- Removed AVX code, since it had very little effect on performance and would... · 8ed07b6f
  peastman authored Jun 27, 2013
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Removed AVX code, since it had very little effect on performance and would have required a more complicated build process.  Also worked around a compilation error with clang.
```
  8ed07b6f
26 Jun, 2013 2 commits
- Further optimizations to CPU based PME · e249751c
  peastman authored Jun 26, 2013
  
  e249751c
- Bug fixes and minor optimizations · 041f973f
  peastman authored Jun 26, 2013
  
  041f973f
25 Jun, 2013 1 commit
- Created AVX version of charge spreading. Also fixed incorrect energy computation. · f623f01a
  peastman authored Jun 25, 2013
  
  f623f01a
24 Jun, 2013 3 commits
- Optimized reciprocal space convolution by caching scale factors · dcfd5c02
  peastman authored Jun 24, 2013
  
  dcfd5c02
- Fixed compilation errors on Linux · 06fa0896
  peastman authored Jun 24, 2013
  
  06fa0896
- Moved CPU based PME to a separate plugin · 5e0b0e3a
  peastman authored Jun 24, 2013
  
  5e0b0e3a
13 Jun, 2013 1 commit
- Remove hardcoded osx sysroot · 960d2010
  Justin MacCallum authored Jun 12, 2013
  
  960d2010
04 Jun, 2013 1 commit

Converted the array containing atom block indices for the neighbor list from... · 2ff0b0ae

peastman authored Jun 04, 2013

Converted the array containing atom block indices for the neighbor list from ushort2 to int.  This removes the hard limit of 2 million atoms.

2ff0b0ae