| 2016-05-10 |
Erik Lindahl | Fixed large file issue on 32-bit platforms
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commit | commitdiff | tree |
| 2016-05-10 |
Erik Lindahl | Fix precision loss in tabulated normal distribution
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commit | commitdiff | tree |
| 2016-05-10 |
Erik Lindahl | Flush streams when not writing newline character
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commit | commitdiff | tree |
| 2016-05-09 |
Erik Lindahl | Improved description for GPU/CPU time ratio
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commit | commitdiff | tree |
| 2016-05-08 |
Erik Lindahl | Fix Luzar/Chander literature reference in g_hbond
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commit | commitdiff | tree |
| 2016-05-05 |
Erik Lindahl | Fix SIMD detection on AMD AVX CPUs w/o fma (master)
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commit | commitdiff | tree |
| 2016-05-05 |
Erik Lindahl | Avoid allocating heap memory for tabulated distribution
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commit | commitdiff | tree |
| 2016-04-04 |
Erik Lindahl | Fix hwloc narrowing warning on 32-bit architectures
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commit | commitdiff | tree |
| 2016-04-04 |
Erik Lindahl | Fix compile error for IBM VMX on ppc64
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commit | commitdiff | tree |
| 2016-04-04 |
Erik Lindahl | Fix SIMD detection on new AMD AVX CPUs w/o fma
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commit | commitdiff | tree |
| 2016-04-03 |
Erik Lindahl | Fix unit test segfaults with gcc-6.0
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commit | commitdiff | tree |
| 2016-04-03 |
Erik Lindahl | Fix incorrect return type for scalar version of simd...
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commit | commitdiff | tree |
| 2016-03-09 |
Erik Lindahl | Random engines & distributions as proper C++11 classes
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commit | commitdiff | tree |
| 2016-03-09 |
Erik Lindahl | Support for portable hardware locality (hwloc)
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commit | commitdiff | tree |
| 2016-03-04 |
Erik Lindahl | Fix length of SIMD4 boolean vector in reference build
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commit | commitdiff | tree |
| 2016-02-12 |
Erik Lindahl | Extended SIMD, implementation for AVX-512F/ER
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commit | commitdiff | tree |
| 2016-02-10 |
Erik Lindahl | Scalar functions mimicking the SIMD interface
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commit | commitdiff | tree |
| 2016-01-04 |
Erik Lindahl | Fix unnecessary SIMD warning
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commit | commitdiff | tree |
| 2015-12-27 |
Erik Lindahl | Extended SIMD, implementation for Intel MIC
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commit | commitdiff | tree |
| 2015-12-27 |
Erik Lindahl | Avoid using aligned member variables in SIMD tests
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commit | commitdiff | tree |
| 2015-12-24 |
Erik Lindahl | Extended SIMD, implementation for IBM Power7/8 VSX
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commit | commitdiff | tree |
| 2015-12-24 |
Erik Lindahl | IBM Power6 VMX extended SIMD
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commit | commitdiff | tree |
| 2015-12-24 |
Erik Lindahl | Extended SIMD, impl for Arm Neon and 64-bit Neon Asimd
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commit | commitdiff | tree |
| 2015-12-21 |
Erik Lindahl | Extended SIMD, implementation for BlueGene/Q
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commit | commitdiff | tree |
| 2015-12-21 |
Erik Lindahl | Extended SIMD implementation for 256-bit AVX and AVX2
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commit | commitdiff | tree |
| 2015-12-20 |
Erik Lindahl | Next-generation SIMD, for SSE2, SSE4.1 and 128-bit AVX
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commit | commitdiff | tree |
| 2015-12-19 |
Erik Lindahl | Fix compiler warning in cpuinfo for non-x86 architectures
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commit | commitdiff | tree |
| 2015-12-16 |
Erik Lindahl | Next-generation SIMD module, reference implementation
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commit | commitdiff | tree |
| 2015-12-15 |
Erik Lindahl | C++ math function cleanup
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commit | commitdiff | tree |
| 2015-12-01 |
Erik Lindahl | Fixed null-dereferencing bug in vsites
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commit | commitdiff | tree |
| 2015-11-30 |
Erik Lindahl | C++ classes for cpuid and hardware topology
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commit | commitdiff | tree |
| 2015-11-16 |
Erik Lindahl | Remove unused code detected by PGI compiler
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commit | commitdiff | tree |
| 2015-11-05 |
Erik Lindahl | Avoid __vectorcall with clang for reference build
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commit | commitdiff | tree |
| 2015-11-02 |
Erik Lindahl | Enable 64-bit cycle counters on ARMV7a
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commit | commitdiff | tree |
| 2015-11-02 |
Erik Lindahl | Split SIMD implementations into 4 files
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commit | commitdiff | tree |
| 2015-11-02 |
Erik Lindahl | Moved GMX_SIMD_* macros from ifdefs to values 0/1
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commit | commitdiff | tree |
| 2015-10-30 |
Erik Lindahl | Break dependence of group kernels on simd module
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commit | commitdiff | tree |
| 2015-10-23 |
Erik Lindahl | Added AlignedAllocator class
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commit | commitdiff | tree |
| 2015-10-22 |
Erik Lindahl | Merge "Merge release-5-0 into release-5-1" into release-5-1
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commit | commitdiff | tree |
| 2015-10-14 |
Erik Lindahl | Another quote from Economist today
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commit | commitdiff | tree |
| 2015-10-13 |
Erik Lindahl | Replace GROMACS-specific math functions with C++11...
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commit | commitdiff | tree |
| 2015-10-13 |
Erik Lindahl | Moved nonbonded sources to C++
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commit | commitdiff | tree |
| 2015-10-13 |
Erik Lindahl | Moved last nbnxn_kernel sources to C++
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commit | commitdiff | tree |
| 2015-10-05 |
Erik Lindahl | Added try/catch statements in OpenMP regions and tMPI...
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commit | commitdiff | tree |
| 2015-09-27 |
Erik Lindahl | Fix unused variable warnings for gcc-4.6.4
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commit | commitdiff | tree |
| 2015-09-22 |
Erik Lindahl | Convert nbnxn search,grid,atomdata to C++
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commit | commitdiff | tree |
| 2015-09-07 |
Erik Lindahl | Moved linear algebra sources to C++
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commit | commitdiff | tree |
| 2015-08-29 |
Erik Lindahl | Fix FP exception in reference build
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commit | commitdiff | tree |
| 2015-08-12 |
Erik Lindahl | Prevent AMD OpenCL on OS X prior to 10.10.4
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commit | commitdiff | tree |
| 2015-08-11 |
Erik Lindahl | Fix for processors being offline on Arm
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commit | commitdiff | tree |
| 2015-08-06 |
Erik Lindahl | Avoid using C++11-specific data() of std::vector
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commit | commitdiff | tree |
| 2015-08-05 |
Erik Lindahl | Fix PGI compiler flag
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commit | commitdiff | tree |
| 2015-07-29 |
Erik Lindahl | Moved another bunch of mdlib utils to C++
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commit | commitdiff | tree |
| 2015-07-29 |
Erik Lindahl | Fix a table generation bug for pme-shift
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commit | commitdiff | tree |
| 2015-07-29 |
Erik Lindahl | Update naming standards to avoid hungarian notation...
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commit | commitdiff | tree |
| 2015-07-28 |
Erik Lindahl | Moved second half of gmxana tools to C++
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commit | commitdiff | tree |
| 2015-07-28 |
Erik Lindahl | Moved first batch of analysis tool source to C++
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commit | commitdiff | tree |
| 2015-07-28 |
Erik Lindahl | Convert support files in gmxana to C++
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commit | commitdiff | tree |
| 2015-07-28 |
Erik Lindahl | Moved timing source to C++
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commit | commitdiff | tree |
| 2015-07-27 |
Erik Lindahl | Moved additional gmxlib sources to C++
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commit | commitdiff | tree |
| 2015-07-26 |
Erik Lindahl | Merge branch release-5-1
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commit | commitdiff | tree |
| 2015-07-17 |
Erik Lindahl | Moved statistics source to C++
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commit | commitdiff | tree |
| 2015-07-17 |
Erik Lindahl | Fixed static analyzer warnings
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commit | commitdiff | tree |
| 2015-07-17 |
Erik Lindahl | Fix incorrect warning about only using single core
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commit | commitdiff | tree |
| 2015-07-14 |
Erik Lindahl | Move fileio sources to C++
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commit | commitdiff | tree |
| 2015-07-14 |
Erik Lindahl | Move remaining C files in utility to C++
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commit | commitdiff | tree |
| 2015-07-10 |
Erik Lindahl | Use cmakedefine01 for more trivial defines
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commit | commitdiff | tree |
| 2015-07-10 |
Erik Lindahl | Moved tools files to C++
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commit | commitdiff | tree |
| 2015-07-09 |
Erik Lindahl | Merge "Merge release-5-1 into master"
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commit | commitdiff | tree |
| 2015-07-08 |
Erik Lindahl | Move generalized born to C++
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commit | commitdiff | tree |
| 2015-07-08 |
Erik Lindahl | Move FFT defines to use cmakedefine01
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commit | commitdiff | tree |
| 2015-07-08 |
Erik Lindahl | Move endian, float format and XDR settings to cmakedefine01
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commit | commitdiff | tree |
| 2015-07-08 |
Erik Lindahl | Cleanup and remove unused SSE2 generalized born code
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commit | commitdiff | tree |
| 2015-07-08 |
Erik Lindahl | Move old neighborsearch code to C++
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commit | commitdiff | tree |
| 2015-07-07 |
Erik Lindahl | Move QMMM source to C++
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commit | commitdiff | tree |
| 2015-06-29 |
Erik Lindahl | Fix OS X openCL builds
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commit | commitdiff | tree |
| 2015-06-29 |
Erik Lindahl | Fix bugs in gmx dos
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commit | commitdiff | tree |
| 2015-06-29 |
Erik Lindahl | Replace functions deprecated in OpenCL 1.2
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commit | commitdiff | tree |
| 2015-06-29 |
Erik Lindahl | Fix bug removing multiple dihedrals in main rtp entries
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commit | commitdiff | tree |
| 2015-06-29 |
Erik Lindahl | Removed gmx protonate tool
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commit | commitdiff | tree |
| 2015-06-28 |
Erik Lindahl | Fix double precision reference SIMD and gcc bug
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commit | commitdiff | tree |
| 2015-06-28 |
Erik Lindahl | Fix one error and compiler warnings with Cuda & clang-3.6
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commit | commitdiff | tree |
| 2015-06-27 |
Erik Lindahl | Fix IBM VSX SIMD compiles with xlc
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commit | commitdiff | tree |
| 2015-06-27 |
Erik Lindahl | Fix single-prec. softcore issue in 4.6 branch
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commit | commitdiff | tree |
| 2015-06-27 |
Erik Lindahl | Merge "Merge release-5-0 into master"
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commit | commitdiff | tree |
| 2015-06-26 |
Erik Lindahl | Fix compile issues on K computer
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commit | commitdiff | tree |
| 2015-06-26 |
Erik Lindahl | Fix buffer size issues in string database
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commit | commitdiff | tree |
| 2015-06-25 |
Erik Lindahl | Fix edr appending and exact continuation
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commit | commitdiff | tree |
| 2015-06-25 |
Erik Lindahl | Fix binary exact continuation for trajectories
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commit | commitdiff | tree |
| 2015-06-24 |
Erik Lindahl | Avoid accessing hackblocks for x2top
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commit | commitdiff | tree |
| 2015-06-23 |
Erik Lindahl | Updated physical constants from NIST 2010 CODATA
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commit | commitdiff | tree |
| 2015-06-23 |
Erik Lindahl | Removed buggy -smooth hack in hbond module
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commit | commitdiff | tree |
| 2015-06-22 |
Erik Lindahl | Fix compiler warnings in cmake tests
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commit | commitdiff | tree |
| 2015-06-22 |
Erik Lindahl | Use MPI_THREAD_FUNNELED when available
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commit | commitdiff | tree |
| 2015-06-22 |
Erik Lindahl | Fix segfault in random access XTC searching
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commit | commitdiff | tree |
| 2015-06-22 |
Erik Lindahl | Fix argument order error for g_rmsdist
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commit | commitdiff | tree |
| 2015-06-22 |
Erik Lindahl | Fix gro errors with PDB insertion codes
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commit | commitdiff | tree |
| 2015-06-20 |
Erik Lindahl | Updated docs for g_gyrate
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commit | commitdiff | tree |
| 2015-06-20 |
Erik Lindahl | Fix potential buffer overflow in pdb2gmx
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commit | commitdiff | tree |
| 2015-06-20 |
Erik Lindahl | Disallow infinite epsilon with PME or GB.
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commit | commitdiff | tree |
