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cmdlinerunner.cpp: use ICommandLineOptionsModule
2015-07-29
Erik Lindahl
Moved another bunch of mdlib utils to C++
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2015-07-29
Erik Lindahl
Fix a table generation bug for pme-shift
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2015-07-29
Erik Lindahl
Update naming standards to avoid hungarian notation...
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2015-07-28
Erik Lindahl
Moved second half of gmxana tools to C++
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2015-07-28
Erik Lindahl
Moved first batch of analysis tool source to C++
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2015-07-28
Erik Lindahl
Convert support files in gmxana to C++
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2015-07-28
Erik Lindahl
Moved timing source to C++
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2015-07-27
Erik Lindahl
Moved additional gmxlib sources to C++
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2015-07-26
Erik Lindahl
Merge branch release-5-1
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2015-07-17
Erik Lindahl
Moved statistics source to C++
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2015-07-17
Erik Lindahl
Fixed static analyzer warnings
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2015-07-17
Erik Lindahl
Fix incorrect warning about only using single core
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2015-07-14
Erik Lindahl
Move fileio sources to C++
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2015-07-14
Erik Lindahl
Move remaining C files in utility to C++
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2015-07-10
Erik Lindahl
Use cmakedefine01 for more trivial defines
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2015-07-10
Erik Lindahl
Moved tools files to C++
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2015-07-09
Erik Lindahl
Merge "Merge release-5-1 into master"
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2015-07-08
Erik Lindahl
Move generalized born to C++
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2015-07-08
Erik Lindahl
Move FFT defines to use cmakedefine01
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2015-07-08
Erik Lindahl
Move endian, float format and XDR settings to cmakedefine01
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2015-07-08
Erik Lindahl
Cleanup and remove unused SSE2 generalized born code
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2015-07-08
Erik Lindahl
Move old neighborsearch code to C++
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2015-07-07
Erik Lindahl
Move QMMM source to C++
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2015-06-29
Erik Lindahl
Fix OS X openCL builds
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2015-06-29
Erik Lindahl
Fix bugs in gmx dos
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2015-06-29
Erik Lindahl
Replace functions deprecated in OpenCL 1.2
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2015-06-29
Erik Lindahl
Fix bug removing multiple dihedrals in main rtp entries
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2015-06-29
Erik Lindahl
Removed gmx protonate tool
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2015-06-28
Erik Lindahl
Fix double precision reference SIMD and gcc bug
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2015-06-28
Erik Lindahl
Fix one error and compiler warnings with Cuda & clang-3.6
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2015-06-27
Erik Lindahl
Fix IBM VSX SIMD compiles with xlc
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2015-06-27
Erik Lindahl
Fix single-prec. softcore issue in 4.6 branch
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2015-06-27
Erik Lindahl
Merge "Merge release-5-0 into master"
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2015-06-26
Erik Lindahl
Fix compile issues on K computer
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2015-06-26
Erik Lindahl
Fix buffer size issues in string database
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2015-06-25
Erik Lindahl
Fix edr appending and exact continuation
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2015-06-25
Erik Lindahl
Fix binary exact continuation for trajectories
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2015-06-24
Erik Lindahl
Avoid accessing hackblocks for x2top
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2015-06-23
Erik Lindahl
Updated physical constants from NIST 2010 CODATA
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2015-06-23
Erik Lindahl
Removed buggy -smooth hack in hbond module
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2015-06-22
Erik Lindahl
Fix compiler warnings in cmake tests
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2015-06-22
Erik Lindahl
Use MPI_THREAD_FUNNELED when available
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2015-06-22
Erik Lindahl
Fix segfault in random access XTC searching
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2015-06-22
Erik Lindahl
Fix argument order error for g_rmsdist
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2015-06-22
Erik Lindahl
Fix gro errors with PDB insertion codes
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2015-06-20
Erik Lindahl
Updated docs for g_gyrate
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2015-06-20
Erik Lindahl
Fix potential buffer overflow in pdb2gmx
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2015-06-20
Erik Lindahl
Disallow infinite epsilon with PME or GB.
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2015-06-20
Erik Lindahl
Remove GMX_MAX_MPI_THREADS
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2015-06-20
Erik Lindahl
Fix reproducibility bug in fft5d
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2015-06-20
Erik Lindahl
Handle multidir/multisim with single argument correctly
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2015-06-19
Erik Lindahl
Fix incorrect shift with g_density -center
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2015-06-16
Erik Lindahl
Fix CUDA version info in NVML application clock warning
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2015-06-16
Erik Lindahl
Add membrane embedding docs
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2015-06-16
Erik Lindahl
Updated FFTW recommendations in install-guide.
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2015-06-16
Erik Lindahl
Fix segfault with timer reset and -nb cpu
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2015-06-16
Erik Lindahl
Avoid warning about affinity on Blue Gene, reduce warnings
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2015-06-15
Erik Lindahl
Fix OS X FFTW build failures introduced 86a772
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2015-06-15
Erik Lindahl
Fixed SIMD detection and flags common for IBM archs
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2015-06-07
Erik Lindahl
Fix out-of-range integer literals for threefry
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2015-06-04
Erik Lindahl
More new quotes
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2015-05-17
Erik Lindahl
Added hacks for SIMD rvec/load store in lincs & bondeds
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2015-03-30
Erik Lindahl
Quote from Szilard's talk at GTC2015
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2015-03-25
Erik Lindahl
Quote from Jen-Hsun at the NVIDIA GTC conference 2015
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2015-03-03
Erik Lindahl
Added single-accuracy SIMD double math functions
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2015-02-24
Erik Lindahl
Added AVX-512ER SIMD support
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2015-02-24
Erik Lindahl
Add AVX-512F SIMD support
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2015-02-20
Erik Lindahl
Famous quote from Colleen McCullough
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2015-02-20
Erik Lindahl
Added two pop-culture quotes from Andy Warhol.
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2015-01-19
Erik Lindahl
Added two quotes from Julie Bernauer habilitation
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2014-09-30
Erik Lindahl
Add Power8 VSX SIMD support
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2014-09-30
Erik Lindahl
Avoid using function calls in OpenMP directives
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2014-09-22
Erik Lindahl
More quotes
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2014-09-20
Erik Lindahl
Fix RelWithDebInfo name bugs, and use full optimization.
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2014-09-20
Erik Lindahl
Added a bunch of new and old quotes.
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2014-09-18
Erik Lindahl
Add Power/PowerPC VMX SIMD support
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2014-09-11
Erik Lindahl
Enable static anon namespace workaround on pathscale
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2014-09-10
Erik Lindahl
Improve performance of MIC exponential
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2014-09-08
Erik Lindahl
Add 64-bit AArch64 asimd SIMD support
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2014-09-08
Erik Lindahl
Add 32-bit ARM Neon SIMD support
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2014-09-04
Erik Lindahl
K-computer specific modifications
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2014-09-03
Erik Lindahl
Fixed sc_power==48 crash in single precision
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2014-09-03
Erik Lindahl
Fixed preprocessor error for AVX_128_FMA simd
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2014-09-02
Erik Lindahl
Fix formatting of fatal errors in g_bar
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2014-09-02
Erik Lindahl
Fixed string var expansion in CMake due to CMP0053
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2014-08-31
Erik Lindahl
Added negative zero preprocessor constants
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2014-08-20
Erik Lindahl
Add _GNU_SOURCE=1 to find clone() with PGI
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2014-08-20
Erik Lindahl
Fix matrix pointer dereference bug in update.c
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2014-08-20
Erik Lindahl
Enable SIMD register calling convention with gmx_simdcall
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2014-08-20
Erik Lindahl
Add cycle counters for 64-bit ARM
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2014-08-20
Erik Lindahl
Shorten plugin configuration message
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2014-08-17
Erik Lindahl
Fix Portland compiler warnings
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2014-08-10
Erik Lindahl
Make internal BLAS/LAPACK messages less noisy
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2014-08-10
Erik Lindahl
Improve Gromacs portability
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2014-08-10
Erik Lindahl
Replace __LP64__ with check for pointer size
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2014-08-07
Erik Lindahl
Fix portability issue with ArrayRef initializer overloading
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2014-08-07
Erik Lindahl
Changed names of test files to avoid Fujitsu compiler bug
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2014-08-01
Erik Lindahl
Added tests for denormal and underflow for simd exp()
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2014-07-27
Erik Lindahl
Fix selection of xtc groups not starting at index 0
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2014-07-13
Erik Lindahl
Avoid clang/32 optimization affecting IEEE endian detection
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