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2013-10-26	Roland Schulz	Fix NBNxN SIMD reference kernels	commit \| commitdiff \| tree
2013-10-14	Szilard Pall	use CUDA texture objects when supported	commit \| commitdiff \| tree
2013-10-03	Christoph Junghans	Fix parallel build for GMX_BUILD_OWN_FFTW	commit \| commitdiff \| tree
2013-08-09	Mark Abraham	Reordered FFTW fatal error; avoids using unset variables	commit \| commitdiff \| tree
2013-06-16	Jeff Hammond	Define both C and C++ compilers in BGQ toolchains;...	commit \| commitdiff \| tree
2013-06-16	Jeff Hammond	Use more obvious name of BGQ compiler MPI wrappers	commit \| commitdiff \| tree
2013-06-16	Jeff Hammond	fix CMake bug related to TestQPX.c location	commit \| commitdiff \| tree
2013-06-16	Jeff Hammond	fixed a typo (unclosed bracket) that cause CMake to...	commit \| commitdiff \| tree
2013-05-30	Mark Abraham	New patch release 4.6.2	commit \| commitdiff \| tree
2013-05-26	Michael Shirts	Fix of memory leak	commit \| commitdiff \| tree
2013-05-07	Mark Abraham	Fix extant references to former GPL licensing	commit \| commitdiff \| tree
2013-04-26	Michael Shirts	Fixing a problem with dh/dl 1-4 interactions	commit \| commitdiff \| tree
2013-04-26	Mark Abraham	Update linking to MKL and document same	commit \| commitdiff \| tree
2013-04-19	Mark Abraham	v-rescale works with tau-t >= 0	commit \| commitdiff \| tree
2013-03-11	Mark Abraham	Added install guide section for BLAS/LAPACK	commit \| commitdiff \| tree
2013-03-05	Mark Abraham	Warn if X11 was not found and the user wanted it	commit \| commitdiff \| tree
2013-03-05	Mark Abraham	fix broken things in mkhtml	commit \| commitdiff \| tree
2013-02-26	Mark Abraham	Uncrustified code changes since 4.6	commit \| commitdiff \| tree
2013-02-20	Mark Abraham	Merge release-4-5-patches into release-4-6	commit \| commitdiff \| tree
2013-02-18	Roland Schulz	Issue errors/warnings for ICC before 12.0.0	commit \| commitdiff \| tree
2013-02-15	Michael Shirts	bugfix for md-vv + nose-hoover + (nstcalcenergy > nsttcouple)	commit \| commitdiff \| tree
2013-02-15	Mark Abraham	Use explicit kernel pointer typecasts	commit \| commitdiff \| tree
2013-02-15	Mark Abraham	Bump shared object version to 7	commit \| commitdiff \| tree
2013-02-15	Peter Kasson	Unwinds flag dependencies in g_order.	commit \| commitdiff \| tree
2013-02-13	Mark Abraham	Fix code bug with thread-MPI on PowerPC with xlc	commit \| commitdiff \| tree
2013-02-13	Mark Abraham	More descriptive Verlet kernel macro parameter names	commit \| commitdiff \| tree
2013-02-13	Mark Abraham	Fix and add Verlet kernel error messages	commit \| commitdiff \| tree
2013-02-13	Mark Abraham	Re-generated group kernels	commit \| commitdiff \| tree
2013-02-09	Mark Abraham	Typo fix	commit \| commitdiff \| tree
2013-02-05	Mark Abraham	Documented what GMX_CPU_ACCELERATION really means	commit \| commitdiff \| tree
2013-01-17	Mark Abraham	Updating the shell completion files	commit \| commitdiff \| tree
2013-01-17	Mark Abraham	Gromacs install guide updates.	commit \| commitdiff \| tree
2013-01-17	Mark Abraham	Merge branch 'release-4-5-patches' into release-4-6	commit \| commitdiff \| tree
2013-01-16	Roland Schulz	Don't cache ${FFTW}_HAVE_(SIMD\|AVX)	commit \| commitdiff \| tree
2013-01-16	Erik Lindahl	Fixed GB interactions for release-4-6	commit \| commitdiff \| tree
2013-01-16	Berk Hess	split off pick_nbnxn_resource from nbnxn_pick_nbnxn	commit \| commitdiff \| tree
2013-01-16	Mark Abraham	Quiet stderr output, particularly for multi-simulations	commit \| commitdiff \| tree
2013-01-16	Michael Shirts	fixes issues with pressure control and infrequent evaluation	commit \| commitdiff \| tree
2013-01-15	Mark Abraham	Added check for valid wall_atomtype in .mdp	commit \| commitdiff \| tree
2013-01-14	Mark Abraham	Added fatal error for constraints + L-BFGS minimizer	commit \| commitdiff \| tree
2013-01-14	Mark Abraham	Hid nbnxn kernel names behind a lookup function	commit \| commitdiff \| tree
2013-01-13	Mark Abraham	Updated code checks with distance restraints	commit \| commitdiff \| tree
2013-01-13	Mark Abraham	Fixing trjconv -sub	commit \| commitdiff \| tree
2013-01-13	Mark Abraham	Noting that and why gmxdump -s -sys is broken	commit \| commitdiff \| tree
2013-01-13	Mark Abraham	Manage BlueGene/Q configuration	commit \| commitdiff \| tree
2013-01-13	Mark Abraham	Re-organize BlueGene toolchain files	commit \| commitdiff \| tree
2013-01-13	Mark Abraham	Changed defaults for building shared libraries	commit \| commitdiff \| tree
2012-12-20	Michael Shirts	Fix for the pressure in MTTK with constraints + dispersion	commit \| commitdiff \| tree
2012-12-19	Mark Abraham	Removed orphan file	commit \| commitdiff \| tree
2012-12-19	Mark Abraham	Avoid using undefined CMake variables	commit \| commitdiff \| tree
2012-12-13	Mark Abraham	Fix typo	commit \| commitdiff \| tree
2012-12-06	Mark Abraham	Apply LGPL license to new files	commit \| commitdiff \| tree
2012-12-06	Mark Abraham	Updates for install guide	commit \| commitdiff \| tree
2012-12-06	Michael Shirts	Removing (inaccurate) virial temperature calc.	commit \| commitdiff \| tree
2012-12-06	Mark Abraham	Eliminate confusion from pkgconfig FFTW detection	commit \| commitdiff \| tree
2012-12-05	Christoph Junghans	fixed obsolete gmx_fatal in OpenMM build	commit \| commitdiff \| tree
2012-12-05	Mark Abraham	Re-apply -dev version name between beta 1 and beta 2	commit \| commitdiff \| tree
2012-12-05	Mark Abraham	Keep FindCUDA quiet when it is not useful	commit \| commitdiff \| tree
2012-12-05	Erik Marklund	Fixed labelling of g_hbond plots	commit \| commitdiff \| tree
2012-11-29	Mark Abraham	Initial commit of new install guide	commit \| commitdiff \| tree
2012-11-29	Mark Abraham	Bump version to 4.6-beta1	commit \| commitdiff \| tree
2012-11-29	Mark Abraham	Added .gitignore for kernel generation	commit \| commitdiff \| tree
2012-11-29	Mark Abraham	Fixing issue with GPU detection reporting	commit \| commitdiff \| tree
2012-11-26	Mark Abraham	Clean up some mathematical constants	commit \| commitdiff \| tree
2012-11-16	Erik Lindahl	SSE2 single-precision kernels	commit \| commitdiff \| tree
2012-11-10	Mark Abraham	Fix broken manual formatting	commit \| commitdiff \| tree
2012-11-08	Erik Lindahl	Infrastructure for new group kernels, and new C kernels	commit \| commitdiff \| tree
2012-10-13	Mark Abraham	Fixed install-xxx functionality broken in 9628e27d	commit \| commitdiff \| tree
2012-10-12	Michael Shirts	Fixing issues with replica exchange	commit \| commitdiff \| tree
2012-09-24	Mark Abraham	Fix REMD use of gmx_large_int_t for #steps variable	commit \| commitdiff \| tree
2012-09-17	Mark Abraham	Made construction of parallel filenames less noisy	commit \| commitdiff \| tree
2012-09-10	Mark Abraham	Corrected REMD citation	commit \| commitdiff \| tree
2012-08-31	Mark Abraham	Update use of CPack components and add install targets	commit \| commitdiff \| tree
2012-08-31	Mark Abraham	Improved pdb2gmx output	commit \| commitdiff \| tree
2012-08-28	Mark Abraham	Document correct comm_mode option	commit \| commitdiff \| tree
2012-08-14	Mark Abraham	Explicitly noted an issue with use of genbox -maxsol	commit \| commitdiff \| tree
2012-08-14	Mark Abraham	Don't silently accept genbox -nmol without -ci	commit \| commitdiff \| tree
2012-08-11	Mark Abraham	Fixing of things associated with aminoacid.rtp header	commit \| commitdiff \| tree
2012-08-10	Mark Abraham	Added TIP4P back into CHARMM27	commit \| commitdiff \| tree
2012-07-31	Michael Shirts	Added a check for efep that was missing.	commit \| commitdiff \| tree
2012-07-30	Mark Abraham	Clarified reasons for termination of EM	commit \| commitdiff \| tree
2012-07-24	Mark Abraham	Clean up of environment variables	commit \| commitdiff \| tree
2012-06-15	Mark Abraham	Quiet linker on BlueGene	commit \| commitdiff \| tree
2012-06-15	Mark Abraham	Fix g_lie counting last frame twice	commit \| commitdiff \| tree
2012-06-06	Mark Abraham	Work around failure of endianness testing on BlueGene	commit \| commitdiff \| tree
2012-06-06	Mark Abraham	Fix endian test functionality	commit \| commitdiff \| tree
2012-06-04	Mark Abraham	Added more suggested strategies to error message	commit \| commitdiff \| tree
2012-05-31	Mark Abraham	Made mdrun more verbose about PME split	commit \| commitdiff \| tree
2012-05-26	Mark Abraham	Continuing to fix threading on Cygwin	commit \| commitdiff \| tree
2012-04-19	Mark Abraham	Various improvements to shell code	commit \| commitdiff \| tree
2012-04-18	Mark Abraham	Removed outdated #includes	commit \| commitdiff \| tree
2012-04-17	Mark Abraham	Added Windows-specific #defines, and use them	commit \| commitdiff \| tree
2012-04-17	Mark Abraham	Rename gmxconfig.h to gmx_header_config.h	commit \| commitdiff \| tree
2012-04-14	Mark Abraham	Described default output behaviour	commit \| commitdiff \| tree
2012-04-14	Mark Abraham	Clarified warning message	commit \| commitdiff \| tree
2012-04-14	Mark Abraham	Clarified warning string	commit \| commitdiff \| tree
2012-04-11	Mark Abraham	Introduce include/gmxconfig.h	commit \| commitdiff \| tree
2012-04-10	Mark Abraham	Made g_helix sensitive to CHARMM atom naming	commit \| commitdiff \| tree
2012-04-10	Mark Abraham	Permit threads build on Cygwin	commit \| commitdiff \| tree
2012-04-09	Mark Abraham	Documentation and error message enhancements	commit \| commitdiff \| tree
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