BioD PNPI Git Repos - alexxy/gromacs.git/search

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2013-07-25	Alexey Shvetsov	nb_kernel_sse2_double: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_avx_256_double: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_avx_128_fma_double: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_sse2_single: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_sse4_1_single: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_avx_128_fma_single: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_avx_256_single: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Mark Abraham	Clarified logic in g_wham	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nonbonded and nb_kernel_c: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	mdlib: clean up -Wunused-parameter warnings	commit \| commitdiff \| tree
2013-07-25	Teemu Murtola	Add unit tests for selection position calculation.	commit \| commitdiff \| tree
2013-07-24	Mark Abraham	Add five new quotes	commit \| commitdiff \| tree
2013-07-24	Teemu Murtola	Fix pthread detection for GMock	commit \| commitdiff \| tree
2013-07-24	Roland Schulz	Merge "Merge branch release-4-6 into master"	commit \| commitdiff \| tree
2013-07-22	Teemu Murtola	Convenience methods for implementing main().	commit \| commitdiff \| tree
2013-07-22	Teemu Murtola	Improve program name reporting.	commit \| commitdiff \| tree
2013-07-21	Teemu Murtola	Uniform "generated by" information in output files.	commit \| commitdiff \| tree
2013-07-20	Teemu Murtola	Options for controlling startup output.	commit \| commitdiff \| tree
2013-07-20	Teemu Murtola	Be less verbose with program options.	commit \| commitdiff \| tree
2013-07-19	Teemu Murtola	Pre-emptively fix some C++ warnings.	commit \| commitdiff \| tree
2013-07-19	Teemu Murtola	Uniform and less verbose startup for all binaries.	commit \| commitdiff \| tree
2013-07-19	Teemu Murtola	Extract Doxygen comments within #ifdef __cplusplus.	commit \| commitdiff \| tree
2013-07-17	Teemu Murtola	Support for storing multipoint analysis data.	commit \| commitdiff \| tree
2013-07-17	David van der Spoel	Added citation to free volume paper.	commit \| commitdiff \| tree
2013-07-14	Mark Abraham	Fixed possible dereference of null pointer	commit \| commitdiff \| tree
2013-07-11	Mark Abraham	Fixed typos in #include guard #defines	commit \| commitdiff \| tree
2013-07-09	Mark Abraham	Remove orphan CMake file	commit \| commitdiff \| tree
2013-07-07	Mark Abraham	Fixed minor admin issues	commit \| commitdiff \| tree
2013-07-05	Mark Abraham	Bump version after 4.6.3 release	commit \| commitdiff \| tree
2013-07-03	Teemu Murtola	Split AnalysisDataStorageFrame into two.	commit \| commitdiff \| tree
2013-07-03	Teemu Murtola	Switch remaining main() functions and copyrite.c to...	commit \| commitdiff \| tree
2013-07-03	Teemu Murtola	Remove g_highway and vbox.c.	commit \| commitdiff \| tree
2013-07-03	Teemu Murtola	Further copyrite.h cleanup.	commit \| commitdiff \| tree
2013-07-01	Mark Abraham	Corrected definition of EEL_USER	commit \| commitdiff \| tree
2013-07-01	Sander Pronk	Comprehensive hwinfo structure concurrency fix.	commit \| commitdiff \| tree
2013-06-30	Teemu Murtola	Script for running uncrustify for modified files.	commit \| commitdiff \| tree
2013-06-28	Justin Lemkul	Minor tweaks to qm_orca.c	commit \| commitdiff \| tree
2013-06-28	Justin Lemkul	Fixes to config.h.cmakein to set GMX_QMMM_ORCA.	commit \| commitdiff \| tree
2013-06-27	Teemu Murtola	More flexible position input for nbsearch routines.	commit \| commitdiff \| tree
2013-06-27	Teemu Murtola	C++-ify analysis nbsearch more.	commit \| commitdiff \| tree
2013-06-27	Teemu Murtola	Remove C API for analysis neighborhoor search.	commit \| commitdiff \| tree
2013-06-27	Teemu Murtola	Better concurrency support for analysis nbsearch.	commit \| commitdiff \| tree
2013-06-27	Teemu Murtola	Fix analysis neighborhood search for 2D/screw PBC.	commit \| commitdiff \| tree
2013-06-27	Szilard Pall	Adapted clang-AMD-FMA workaround for both C and C++	commit \| commitdiff \| tree
2013-06-26	Roland Schulz	Remove hack to support old version tpr version 80	commit \| commitdiff \| tree
2013-06-25	Mark Abraham	Fixed #include of header for atomics on K-computer	commit \| commitdiff \| tree
2013-06-25	Jeff Hammond	Fix declaration that XLC rejected	commit \| commitdiff \| tree
2013-06-25	Szilard Pall	added CUDA compiler flags to version header	commit \| commitdiff \| tree
2013-06-24	Teemu Murtola	Clean up copyrite.*.	commit \| commitdiff \| tree
2013-06-24	Teemu Murtola	Move FFT routines to src/gromacs/fft/.	commit \| commitdiff \| tree
2013-06-24	Teemu Murtola	Restructure AnalysisData unit tests.	commit \| commitdiff \| tree
2013-06-24	Teemu Murtola	More flexible input data for analysisdata tests.	commit \| commitdiff \| tree
2013-06-20	Berk Hess	fixed SD and BD integrator OpenMP performance	commit \| commitdiff \| tree
2013-06-20	Michael Shirts	Fixing a problem when dhdl and replex are not multiples	commit \| commitdiff \| tree
2013-06-20	Berk Hess	flops table now reports CUDA analytical Ewald	commit \| commitdiff \| tree
2013-06-17	Teemu Murtola	Add unit tests for selection index mapping.	commit \| commitdiff \| tree
2013-06-17	Teemu Murtola	Uniform initialization for analysisdata tests.	commit \| commitdiff \| tree
2013-06-17	Teemu Murtola	Separate topology handling in selection tests.	commit \| commitdiff \| tree
2013-06-14	Teemu Murtola	Improve reference data checks against same data.	commit \| commitdiff \| tree
2013-06-14	David van der Spoel	New analysis tool to compute the free volume and total...	commit \| commitdiff \| tree
2013-06-14	Berk Hess	fixed minor g_bar output issues	commit \| commitdiff \| tree
2013-06-13	Teemu Murtola	Added ability to use cppcheck from the command line.	commit \| commitdiff \| tree
2013-06-13	Mark Abraham	Remove unused variables	commit \| commitdiff \| tree
2013-06-12	Teemu Murtola	Better averaging for analysis data modules.	commit \| commitdiff \| tree
2013-06-11	Teemu Murtola	Move wman.* to src/gromacs/onlinehelp/.	commit \| commitdiff \| tree
2013-06-07	Peter Kasson	Fixes syntax for FAHCORE in CMakeLists.txt.	commit \| commitdiff \| tree
2013-06-07	Pedro Lacerda	Add a GMX_NO_CREDITS variable to not show credits	commit \| commitdiff \| tree
2013-06-06	Pedro Lacerda	Various fixes for genion	commit \| commitdiff \| tree
2013-06-05	Berk Hess	fixed DD internal state corruption with energy minimization	commit \| commitdiff \| tree
2013-06-04	Sander Pronk	Fixed inconsistent locality_order array for thread...	commit \| commitdiff \| tree
2013-06-04	Sander Pronk	Fixed deadlock on Mac OS X during thread affinity check.	commit \| commitdiff \| tree
2013-06-04	Teemu Murtola	Split cmake thread detection into core thread and thread_mpi.	commit \| commitdiff \| tree
2013-05-30	Teemu Murtola	Only build base thread support with GMX_THREAD_MPI...	commit \| commitdiff \| tree
2013-05-30	Mark Abraham	Merge "Merge branch 'release-4-6'"	commit \| commitdiff \| tree
2013-05-30	Szilárd Páll	fix unnecessary switch to polling GPU wait	commit \| commitdiff \| tree
2013-05-30	Szilard Pall	fix thread-safety issue in affinity layout detection	commit \| commitdiff \| tree
2013-05-30	Szilard Pall	add workaround for clang on AMD with FMA	commit \| commitdiff \| tree
2013-05-30	Justin Lemkul	Added GROMOS96 54A7 force field files.	commit \| commitdiff \| tree
2013-05-30	Szilard Pall	fix thread offset + stride check	commit \| commitdiff \| tree
2013-05-30	Michael Shirts	Fixing the constraint dhdl term in shake	commit \| commitdiff \| tree
2013-05-30	David van der Spoel	Fixes #1194 error reading 4.5.5 tpr files with dihres	commit \| commitdiff \| tree
2013-05-30	Mark Abraham	Work around for correct treatment of all-vs-all	commit \| commitdiff \| tree
2013-05-28	Carsten Kutzner	Fixed calculation of slab buffer size for flexible...	commit \| commitdiff \| tree
2013-05-28	Teemu Murtola	Fix an error in selection online help.	commit \| commitdiff \| tree
2013-05-28	Carsten Kutzner	Fix for a rare condition in flexible rotation potentials.	commit \| commitdiff \| tree
2013-05-25	Mark Abraham	Make FFT detection quieter when nothing is changing	commit \| commitdiff \| tree
2013-05-24	Sander Pronk	Fixed a potential race condition in tMPI_Thread_create()	commit \| commitdiff \| tree
2013-05-22	Teemu Murtola	Add a few sequence diagrams to Doxygen docs.	commit \| commitdiff \| tree
2013-05-22	Mark Abraham	Clarify g_gyrate -h	commit \| commitdiff \| tree
2013-05-22	Mark Abraham	Fix g_chi -omega	commit \| commitdiff \| tree
2013-05-22	Pedro Lacerda	Fix genion -nq and -pq when using -neutral	commit \| commitdiff \| tree
2013-05-21	Mark Abraham	Updated grompp cut-off and PME-Switch checks	commit \| commitdiff \| tree
2013-05-21	P S Lacerda	Fix -neutral option in genion	commit \| commitdiff \| tree
2013-05-21	Michael Shirts	Fixed problem with bond constraint dhdl being left out	commit \| commitdiff \| tree
2013-05-21	Erik Lindahl	Fujitsu Sparc64 acceleration and general fixes for...	commit \| commitdiff \| tree
2013-05-21	Sander Pronk	New version of thread_mpi with many minor enhancements	commit \| commitdiff \| tree
2013-05-21	Mark Abraham	Hack compiler flags to silence warnings on gcc 4.8	commit \| commitdiff \| tree
2013-05-17	Mark Abraham	Introduce fatal error for GB with FE	commit \| commitdiff \| tree
2013-05-16	Justin Lemkul	Fixed g_sgangle legends.	commit \| commitdiff \| tree
2013-05-16	Carsten Kutzner	Choose the PBC image of each rotation group atom depending	commit \| commitdiff \| tree
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