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Corrected gmxcheck output for Gromos96 bonds.
[alexxy/gromacs.git]
/
include
/
2013-01-04
Teemu Murtola
Merge "Minor fixes to g_angle help description." into...
tree
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commitdiff
2013-01-04
Teemu Murtola
Merge "Fixed error message for zwitterion residues...
tree
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commitdiff
2013-01-03
Roland Schulz
Merge "Fixed GMXRC so we are not polluting standard...
tree
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commitdiff
2013-01-03
Christoph Junghans
Merge "Remove non-functional PowerPC invsqrt." into...
tree
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commitdiff
2012-12-30
Erik Lindahl
Merge "Thread-MPI fixes for i386 llvm & simplification...
tree
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commitdiff
2012-12-30
Teemu Murtola
Remove non-functional PowerPC invsqrt.
tree
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commitdiff
2012-12-29
Sander Pronk
Thread-MPI fixes for i386 llvm & simplification of...
tree
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commitdiff
2012-12-22
Roland Schulz
Add missing visibility exports
tree
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commitdiff
2012-12-20
Erik Lindahl
Merge "Small fix for g_tune_pme" into release-4-6
tree
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commitdiff
2012-12-19
Mark Abraham
Merge "Remove the rest of the fortran/power6 accelerati...
tree
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commitdiff
2012-12-19
Mark Abraham
Merge "Always build template program" into release-4-6
tree
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commitdiff
2012-12-19
Szilárd Páll
Merge "Avoid using undefined CMake variables" into...
tree
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commitdiff
2012-12-19
Szilárd Páll
Merge "Removed orphan file" into release-4-6
tree
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commitdiff
2012-12-19
Roland Schulz
Merge "Fix license text printed by programs." into...
tree
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commitdiff
2012-12-19
Roland Schulz
Merge changes Idc652236,If03cf569 into release-4-6
tree
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commitdiff
2012-12-18
Berk Hess
renamed gmx_x86_simd_macros.h to gmx_simd_macros.h
tree
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commitdiff
2012-12-18
Berk Hess
implemented nbnxn AVX-256 2x(N+N) kernels
tree
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commitdiff
2012-12-17
Teemu Murtola
Fix license text printed by programs.
tree
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commitdiff
2012-12-11
Christoph Junghans
Merge "Fix compilation with PGI" into release-4-6
tree
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commitdiff
2012-12-10
Christoph Junghans
Merge "force C++ linking of the gpu_utils" into release-4-6
tree
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commitdiff
2012-12-09
Roland Schulz
Merge "fixed GPU pair-search with GMX_CPU_ACCELERATION...
tree
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commitdiff
2012-12-09
Roland Schulz
Merge "Fix build of template and other external code...
tree
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commitdiff
2012-12-06
Michael Shirts
Removing (inaccurate) virial temperature calc.
tree
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commitdiff
2012-12-06
Teemu Murtola
Fix build of template and other external code.
tree
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commitdiff
2012-12-06
Sebastian Fritsch
Re-enable AdResS feature
tree
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commitdiff
2012-12-06
Berk Hess
removed last OpenMP O(nthreads) bottleneck
tree
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commitdiff
2012-12-05
Mark Abraham
Merge "don't auto-set nvcc host compiler with cmake...
tree
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commitdiff
2012-12-05
Mark Abraham
Merge "Keep FindCUDA quiet when it is not useful" into...
tree
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commitdiff
2012-12-05
Mark Abraham
Merge "Remove TEST_TMPI_ATOMICS_ONLY" into release-4-6
tree
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commitdiff
2012-12-05
Mark Abraham
Merge "Re-apply -dev version name between beta 1 and...
tree
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commitdiff
2012-12-05
Roland Schulz
Merge "fixed segv in Verlet pair-search with trilinic...
tree
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commitdiff
2012-12-05
Mark Abraham
Merge "Fixed labelling of g_hbond plots" into release-4-6
tree
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commitdiff
2012-12-05
Roland Schulz
Merge "fixed incorrect virial with virtual sites and...
tree
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commitdiff
2012-11-30
Berk Hess
fixed issue with -multi and GPUs
tree
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commitdiff
2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
tree
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commitdiff
2012-11-29
Szilard Pall
made errors during GPU detection non-fatal
tree
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commitdiff
2012-11-29
Mark Abraham
Merge "Added .gitignore for kernel generation" into...
tree
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commitdiff
2012-11-29
Mark Abraham
Merge "Double precision AVX-256 kernels" into release-4-6
tree
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commitdiff
2012-11-29
Mark Abraham
Merge "Fixing issue with GPU detection reporting" into...
tree
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commitdiff
2012-11-29
Mark Abraham
Merge "Double precision AVX_128_FMA kernels" into relea...
tree
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commitdiff
2012-11-29
Erik Lindahl
Double precision AVX-256 kernels
tree
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commitdiff
2012-11-29
Erik Lindahl
Double precision AVX_128_FMA kernels
tree
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commitdiff
2012-11-28
Mark Abraham
Merge "Fix Window-GPU build" into release-4-6
tree
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commitdiff
2012-11-28
Christoph Junghans
Merge "Fix cpack src ignore rule" into release-4-6
tree
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commitdiff
2012-11-28
Roland Schulz
Merge "Remove CVS files" into release-4-6
tree
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commitdiff
2012-11-28
Erik Lindahl
128-bit AVX kernels, with FMA instructions for Opteron...
tree
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commitdiff
2012-11-27
Roland Schulz
Remove CVS files
tree
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commitdiff
2012-11-27
Erik Lindahl
Nonbonded group kernels for 256-bit AVX (Intel CPUs)
tree
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commitdiff
2012-11-27
Michael Shirts
Removes memory allocation from free energy foreign...
tree
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commitdiff
2012-11-27
Roland Schulz
Add visibility defines
tree
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commitdiff
2012-11-27
Erik Lindahl
Merge "Added affinity support check, visibility macros...
tree
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commitdiff
2012-11-27
Sander Pronk
Added affinity support check, visibility macros in...
tree
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commitdiff
2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-11-26
Roland Schulz
Merge "Clean up some mathematical constants" into relea...
tree
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commitdiff
2012-11-26
Mark Abraham
Clean up some mathematical constants
tree
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commitdiff
2012-11-26
Erik Lindahl
Merge "Extended build information output and reference...
tree
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commitdiff
2012-11-26
Berk Hess
added nbnxn analytical Ewald correction kernels
tree
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commitdiff
2012-11-25
Teemu Murtola
Extended build information output and reference build...
tree
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commitdiff
2012-11-23
Roland Schulz
Merge "removed group non-boneded call with verlet schem...
tree
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commitdiff
2012-11-23
Roland Schulz
Merge "improve FindGROMACS.cmake" into release-4-6
tree
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commitdiff
2012-11-23
Roland Schulz
Force C++ linking of the gpu_utils
tree
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commitdiff
2012-11-23
Szilárd Páll
Merge "Updates to CMake treatment of OpenMP" into relea...
tree
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commitdiff
2012-11-20
Christoph Junghans
Merge "Fix g_msd -mol" into release-4-6
tree
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commitdiff
2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-11-19
Roland Schulz
Merge changes Ibc555d88,Iaf6f3051 into release-4-6
tree
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commitdiff
2012-11-19
Mark Abraham
Merge "SSE4.1 single-precision kernels" into release-4-6
tree
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commitdiff
2012-11-19
Erik Lindahl
SSE4.1 single-precision kernels
tree
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commitdiff
2012-11-19
Roland Schulz
Merge "Remove double declaration in headers" into relea...
tree
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commitdiff
2012-11-17
Roland Schulz
Remove double declaration in headers
tree
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commitdiff
2012-11-17
Roland Schulz
Merge "Removing Zn and Ar non-OPLS atom types" into...
tree
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commitdiff
2012-11-16
David van der Spoel
Merge "Removes unused files" into release-4-6
tree
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commitdiff
2012-11-16
Erik Lindahl
SSE2 single-precision kernels
tree
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commitdiff
2012-11-11
Roland Schulz
Fix FMA4 compile for GCC and MSVC
tree
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commitdiff
2012-11-10
Roland Schulz
Merge "Fix broken manual formatting" into release-4-6
tree
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commitdiff
2012-11-10
Teemu Murtola
Remove obsolete GMX_THREAD_SHM_FDECOMP.
tree
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commitdiff
2012-11-08
Roland Schulz
Merge "Fixed bug in the new switch-modified interaction...
tree
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commitdiff
2012-11-08
Christoph Junghans
Merge "auto-set nvcc host compiler with FindMPI detecti...
tree
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commitdiff
2012-11-08
Christoph Junghans
Merge "Relocated logic of simple-vs-GPU Ewald table...
tree
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commitdiff
2012-11-08
Mark Abraham
Relocated logic of simple-vs-GPU Ewald table generation
tree
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commitdiff
2012-11-08
Erik Lindahl
Infrastructure for new group kernels, and new C kernels
tree
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commitdiff
2012-11-06
Berk Hess
Merge "Add option to install libcudart" into release-4-6
tree
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commitdiff
2012-11-06
Berk Hess
Merge "don't execute any mpi_info/mpiname in the path...
tree
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commitdiff
2012-11-05
Berk Hess
Merge "updated several things related with OpenMP threa...
tree
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commitdiff
2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-10-31
Szilard Pall
fix internal/external OpenMP thread affinity clash
tree
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commitdiff
2012-10-25
Roland Schulz
Merge "fix CUDA non-bonded kernel pointer assignment...
tree
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commitdiff
2012-10-23
Roland Schulz
Merge "moved part of nbnxn_search.c to nbnxn_atomdata...
tree
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commitdiff
2012-10-23
Berk Hess
moved part of nbnxn_search.c to nbnxn_atomdata.c
tree
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commitdiff
2012-10-23
Roland Schulz
Merge "added OpenMP parallelization for virtual sites...
tree
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commitdiff
2012-10-22
Berk Hess
added OpenMP parallelization for virtual sites
tree
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commitdiff
2012-10-19
Roland Schulz
Merge "[tools] Allow g_dist to use default index group...
tree
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commitdiff
2012-10-19
Kasson
Merge "renamed constraint variables rmdr to vir_r_m_dr...
tree
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commitdiff
2012-10-19
Roland Schulz
Merge "renamed pme_switch... to pme_loadbal..." into...
tree
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commitdiff
2012-10-18
Roland Schulz
Merge "Added thread affinity API to thread_mpi." into...
tree
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commitdiff
2012-10-18
Berk Hess
renamed constraint variables rmdr to vir_r_m_dr
tree
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commitdiff
2012-10-17
Berk Hess
renamed pme_switch... to pme_loadbal...
tree
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commitdiff
2012-10-17
Kasson
Merge "Make Gromacs compile without C++ compiler" into...
tree
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commitdiff
2012-10-15
Sander Pronk
Added thread affinity API to thread_mpi.
tree
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commitdiff
2012-10-13
David van der Spoel
Merge "Fixing issues with replica exchange" into releas...
tree
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commitdiff
2012-10-12
Berk Hess
Merge "Fix illegal barrier in worksharing" into release-4-6
tree
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commitdiff
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