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Update copyright statements and change license to LGPL
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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2012-04-18
Mark Abraham
Removed outdated #includes
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2012-04-17
Mark Abraham
Added Windows-specific #defines, and use them
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2012-04-17
Mark Abraham
Rename gmxconfig.h to gmx_header_config.h
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2012-04-14
Mark Abraham
Described default output behaviour
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2012-04-14
Mark Abraham
Clarified warning message
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2012-04-14
Mark Abraham
Clarified warning string
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2012-04-11
Mark Abraham
Introduce include/gmxconfig.h
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2012-04-10
Mark Abraham
Made g_helix sensitive to CHARMM atom naming
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2012-04-10
Mark Abraham
Permit threads build on Cygwin
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2012-04-09
Mark Abraham
Documentation and error message enhancements
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2012-04-09
Mark Abraham
Lots of manual updates
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2012-04-09
Mark Abraham
Consolidated documentation of .mdp restraint options
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2012-04-02
Mark Abraham
Improved pdb2gmx error message
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2012-04-02
Mark Abraham
Keep CMake quiet about a Cygwin issue
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2012-03-18
Mark Abraham
Warnings against equilibrating with P-R P-coupling
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2012-03-15
Mark Abraham
Clarified wording of documentation
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2012-03-14
Mark Abraham
Changed cryptic error messages about disk quota
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2012-03-09
Mark Abraham
More editorial fixes to tool documentation
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2012-03-09
Mark Abraham
Editorial changes to tools documentation
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2012-03-08
Mark Abraham
Improved warning note with DD and periodic molecules
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2012-03-08
Mark Abraham
Made description string for g_select -select clearer
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2012-03-08
Mark Abraham
Improved cryptic error message
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2012-02-24
Mark Abraham
Minor formatting fixes to .mdp option documentation
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2012-02-23
Mark Abraham
Fix pdb2gmx -cmap in corner cases
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2012-02-10
Mark Abraham
Fixed g_sham using more than three dimensions
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2012-02-10
Mark Abraham
Integer multiplication that checks for overflow
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2012-02-01
Mark Abraham
Fixed trjconv -sub
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2012-02-01
Mark Abraham
Fixed error message to identify the correct file
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2012-02-01
Mark Abraham
Improved error message
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2012-01-31
Mark Abraham
Merge "Corrected use of ?: in conditional" into release...
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2012-01-31
Mark Abraham
Made error message even more explicit
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2012-01-31
Mark Abraham
Corrected use of ?: in conditional
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2012-01-14
Mark Abraham
Merge "Remove use of FindMPI.cmake" into release-4-6
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2012-01-14
Mark Abraham
Merge "Removing outdated vsite comment" into release-4-6
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2012-01-14
Mark Abraham
Remove use of FindMPI.cmake
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2012-01-10
Mark Abraham
Fixed use of isfinite and _isfinite
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2012-01-09
Mark Abraham
Fixed MSVC compiling with plug-in support
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2012-01-09
Mark Abraham
Fixed use of _snprintf_s with MSVC
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2012-01-07
Mark Abraham
Made use of VMD plugins more robust
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2012-01-04
Mark Abraham
Added CMake Toolchain file for BlueGene/P
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2011-12-29
Mark Abraham
Documented the function of g_cluster -cl -noav
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2011-12-14
Mark Abraham
Re-fixed static linking of maths libraries under UNIX
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2011-12-13
Mark Abraham
Converted macro usage for readability
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2011-12-13
Mark Abraham
Relaxed some assumptions about trajectory times
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2011-12-12
Mark Abraham
Fixed macros that ended in semicolons
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2011-11-25
Mark Abraham
Changed cryptic variable names
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