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Add check to remove zero Charmm dihedrals
2013-01-08 Erik LindahlAdd check to remove zero Charmm dihedrals
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2013-01-08 Erik LindahlDo not always add -msse2 to release flags for icc
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2012-12-30 Erik LindahlFixed GMXRC so we are not polluting standard shell...
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2012-12-30 Erik LindahlMerge "Thread-MPI fixes for i386 llvm & simplification...
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2012-12-27 Erik LindahlFixed error message for zwitterion residues
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2012-12-21 Erik LindahlFixed gmx_cpuid not working on non-x86
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2012-12-20 Erik LindahlMerge "cmake: added option to disable quotes" into...
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2012-12-20 Erik LindahlMerge "Small fix for g_tune_pme" into release-4-6
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2012-12-20 Erik LindahlMerge "Fixes for andersen temperature control" into...
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2012-12-20 Erik LindahlMerge "Fixes for expanded ensemble and HREPEX" into...
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2012-12-20 Erik LindahlFixed AVX256 double-precision kernels for gcc
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2012-11-29 Erik LindahlDouble precision AVX-256 kernels
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2012-11-29 Erik LindahlDouble precision AVX_128_FMA kernels
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2012-11-28 Erik LindahlSSE4.1 double precision kernels
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2012-11-28 Erik LindahlDouble precision SSE2 kernels
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2012-11-28 Erik LindahlPorted back some AVX256 optimizations to SSE2/SSE4...
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2012-11-28 Erik Lindahl128-bit AVX kernels, with FMA instructions for Opteron...
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2012-11-27 Erik LindahlNonbonded group kernels for 256-bit AVX (Intel CPUs)
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2012-11-27 Erik LindahlMerge "Added affinity support check, visibility macros...
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2012-11-27 Erik LindahlMerge "fixed bug in nbnxn OpenMP non-bonded force reduction...
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2012-11-26 Erik LindahlMerge "Use stat for gmx_is_file. Fix get_libdir with...
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2012-11-26 Erik LindahlMerge "Extended build information output and reference...
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2012-11-22 Erik LindahlFix for icc 13 optimization-related issue and TIP4P...
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2012-11-22 Erik LindahlImplemented RMS-based force tolerance in gmxcheck
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2012-11-22 Erik LindahlFixed LJ-14 error in free energy
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2012-11-19 Erik LindahlSSE4.1 single-precision kernels
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2012-11-16 Erik LindahlSSE2 single-precision kernels
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2012-11-13 Erik LindahlRemoved some unnecessary instructions, and fixed a...
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2012-11-09 Erik LindahlRemoved old (now unused) bluegene kernels.
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2012-11-09 Erik LindahlRemoved unused old kernel generator
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2012-11-09 Erik LindahlRemoval of stale Fortran/Power6 kernels
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2012-11-09 Erik LindahlRemoval of stale Fortran kernels
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2012-11-08 Erik LindahlFixed bug in the new switch-modified interactions in...
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2012-11-08 Erik LindahlAllow rcoulomb=rlistlong for PME with nstcalclr=1
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2012-11-08 Erik LindahlInfrastructure for new group kernels, and new C kernels
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2012-06-21 Erik LindahlFixed gcc inline assembly issue with PIC and older...
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2012-06-16 Erik LindahlNew CPU detection & AVX/SSE code, removed raw assembly...
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2011-09-16 Erik LindahlMerge "made allocation for LINCS with particle decomposition...
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2011-09-13 Erik LindahlIntroduced different options for pdb2gmx termini introductio...
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2011-09-13 Erik LindahlFixed incorrection AmberGS force field (redmine #728)
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The ultimate molecular dynamics simulation package