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Fixing copyright issues and code contributors
2013-01-18
Mark Abraham
Fixing copyright issues and code contributors
Added
Mark Abraham
, Christoph Junghans and
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2013-01-17
Mark Abraham
Updating the shell completion files
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2013-01-17
Mark Abraham
Gromacs install guide updates.
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2013-01-17
Mark Abraham
Merge "Remove unnecessary ICC flags affecting performance...
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2013-01-17
Mark Abraham
Merge "improved CUDA kernel performance by pre-loading...
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2013-01-17
Mark Abraham
BlueGene/Q installation notes
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2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
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2013-01-17
Mark Abraham
Merge "Added mdp option 'calc-lambda-neighbors'." into...
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2013-01-17
Mark Abraham
Fix trjconv -sub with .trr files
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2013-01-17
Mark Abraham
Finally move OpenMM to contrib
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2013-01-16
Mark Abraham
Quiet stderr output, particularly for multi-simulations
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2013-01-15
Mark Abraham
Merge "Hid nbnxn kernel names behind a lookup function...
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2013-01-15
Mark Abraham
Velocity-verlet integrators and v-rescale are broken
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2013-01-14
Mark Abraham
Added fatal error for constraints + L-BFGS minimizer
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2013-01-14
Mark Abraham
Hid nbnxn kernel names behind a lookup function
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2013-01-13
Mark Abraham
Updated code checks with distance restraints
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2013-01-13
Mark Abraham
Fixing trjconv -sub
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2013-01-13
Mark Abraham
Noting that and why gmxdump -s -sys is broken
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2013-01-13
Mark Abraham
Clarified some comments & warnings about thread pinning
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2013-01-13
Mark Abraham
Manage BlueGene/Q configuration
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2013-01-13
Mark Abraham
Re-organize BlueGene toolchain files
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2013-01-13
Mark Abraham
Changed defaults for building shared libraries
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2013-01-13
Mark Abraham
Merge "Added basic CPU topology information to cpuid...
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2013-01-10
Mark Abraham
Merge "Revert default rlist/rvdw/rcoulomb to valid...
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2013-01-10
Mark Abraham
Merge "fixed bug with Verlet + DD + bonded atom communicatio...
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2013-01-10
Mark Abraham
Merge "Fixes SSE/AVX compilation under Windows" into...
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2013-01-07
Mark Abraham
Reduce use of monolithic sets of compiler flags
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2013-01-04
Mark Abraham
Set CMake module search path at a better time
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2012-12-22
Mark Abraham
New beta release: 4.6-beta3
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2012-12-19
Mark Abraham
Merge "Remove the rest of the fortran/power6 acceleration...
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2012-12-19
Mark Abraham
Merge "Always build template program" into release-4-6
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2012-12-19
Mark Abraham
Fix Reference build type
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2012-12-19
Mark Abraham
Removed orphan file
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2012-12-19
Mark Abraham
Avoid using undefined CMake variables
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2012-12-13
Mark Abraham
Fix typo
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2012-12-06
Mark Abraham
New beta release: 4.6-beta2
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2012-12-06
Mark Abraham
Apply LGPL license to new files
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2012-12-06
Mark Abraham
Updates for install guide
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2012-12-06
Mark Abraham
Eliminate confusion from pkgconfig FFTW detection
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2012-12-05
Mark Abraham
Merge "don't auto-set nvcc host compiler with cmake...
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2012-12-05
Mark Abraham
Merge "Keep FindCUDA quiet when it is not useful" into...
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2012-12-05
Mark Abraham
Merge "Remove TEST_TMPI_ATOMICS_ONLY" into release-4-6
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2012-12-05
Mark Abraham
Merge "Re-apply -dev version name between beta 1 and...
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2012-12-05
Mark Abraham
Merge "Fixed labelling of g_hbond plots" into release-4-6
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2012-12-05
Mark Abraham
Re-apply -dev version name between beta 1 and beta 2
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2012-12-05
Mark Abraham
Keep FindCUDA quiet when it is not useful
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2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
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2012-11-29
Mark Abraham
Merge "Initial commit of new install guide" into release-4-6
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2012-11-29
Mark Abraham
Merge "Bump version to 4.6-beta1" into release-4-6
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2012-11-29
Mark Abraham
Initial commit of new install guide
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2012-11-29
Mark Abraham
Bump version to 4.6-beta1
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2012-11-29
Mark Abraham
Merge "Added .gitignore for kernel generation" into...
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2012-11-29
Mark Abraham
Merge "Double precision AVX-256 kernels" into release-4-6
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2012-11-29
Mark Abraham
Added .gitignore for kernel generation
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2012-11-29
Mark Abraham
Merge "Fixing issue with GPU detection reporting" into...
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2012-11-29
Mark Abraham
Merge "Double precision AVX_128_FMA kernels" into release-4-6
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2012-11-29
Mark Abraham
Merge "Fix: pthread variables were overwritten by gmxManageG...
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2012-11-29
Mark Abraham
Fixing issue with GPU detection reporting
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2012-11-29
Mark Abraham
Refuse to build with clang 3.0
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2012-11-29
Mark Abraham
Add a CMake warning about FFTW with --enable-avx
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2012-11-29
Mark Abraham
Merge "automation for setting GMX_GPU & cmake GPU detection...
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2012-11-29
Mark Abraham
Merge "SSE4.1 double precision kernels" into release-4-6
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2012-11-29
Mark Abraham
Merge "Double precision SSE2 kernels" into release-4-6
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2012-11-28
Mark Abraham
Merge "Ported back some AVX256 optimizations to SSE2...
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2012-11-28
Mark Abraham
Merge "Fix Window-GPU build" into release-4-6
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2012-11-28
Mark Abraham
Merge "extended nbnxn x86 SIMD kernel blendv support...
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2012-11-26
Mark Abraham
Clean up some mathematical constants
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2012-11-23
Mark Abraham
Updates to CMake treatment of OpenMP
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2012-11-22
Mark Abraham
Speed up mdlib compilation by reordering file globs
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2012-11-19
Mark Abraham
Merge "SSE4.1 single-precision kernels" into release-4-6
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2012-11-19
Mark Abraham
Minor updates to CMake usage
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2012-11-16
Mark Abraham
Added grompp warning
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2012-11-10
Mark Abraham
Fix broken manual formatting
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2012-11-08
Mark Abraham
Relocated logic of simple-vs-GPU Ewald table generation
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2012-10-13
Mark Abraham
Fixed install-xxx functionality broken in 9628e27d
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2012-09-24
Mark Abraham
Fix REMD use of gmx_large_int_t for #steps variable
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2012-09-17
Mark Abraham
Made construction of parallel filenames less noisy
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2012-09-12
Mark Abraham
Merge "Don't fail linking if man page building fails...
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2012-09-10
Mark Abraham
Corrected REMD citation
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2012-08-31
Mark Abraham
Update use of CPack components and add install targets
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2012-08-31
Mark Abraham
Improved pdb2gmx output
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2012-08-28
Mark Abraham
Document correct comm_mode option
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2012-08-14
Mark Abraham
Explicitly noted an issue with use of genbox -maxsol
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2012-08-14
Mark Abraham
Don't silently accept genbox -nmol without -ci
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2012-08-11
Mark Abraham
Clean up some variable naming for eigensolving
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2012-08-11
Mark Abraham
Fixing of things associated with aminoacid.rtp header
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2012-08-10
Mark Abraham
Added TIP4P back into CHARMM27
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2012-07-30
Mark Abraham
Clarified reasons for termination of EM
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2012-07-24
Mark Abraham
Clean up of environment variables
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2012-06-19
Mark Abraham
Merge "Fixes #882 - looping bug in trxio.c" into release...
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2012-06-15
Mark Abraham
Quiet linker on BlueGene
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2012-06-15
Mark Abraham
Fix g_lie counting last frame twice
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2012-06-06
Mark Abraham
Work around failure of endianness testing on BlueGene
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2012-06-06
Mark Abraham
Fix endian test functionality
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2012-06-04
Mark Abraham
Added more suggested strategies to error message
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2012-05-31
Mark Abraham
Made mdrun more verbose about PME split
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2012-05-26
Mark Abraham
Continuing to fix threading on Cygwin
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2012-04-28
Mark Abraham
Merge "Remove checks based on Generator" into release...
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2012-04-28
Mark Abraham
Merge "Fix version info generation for autoconf." into...
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2012-04-19
Mark Abraham
Various improvements to shell code
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