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Fixed indexing typo, and definition of Suzuki-Yashida constants array
[alexxy/gromacs.git] / include /
2009-12-21 unknownFixed indexing typo, and definition of Suzuki-Yashida... tree | commitdiff
2009-12-20 Michael ShirtsFixed some problems with calculation of dispersion... tree | commitdiff
2009-12-20 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-12-20 Michael ShirtsMade default value of the number of nose-hoover chains... tree | commitdiff
2009-12-20 Michael ShirtsFixed an issue with checkpointing not getting the first... tree | commitdiff
2009-12-19 Michael ShirtsSome bug fixes for the dispersion correction. tree | commitdiff
2009-12-19 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-12-19 Michael ShirtsMaking the code thread safe (removing the static ints... tree | commitdiff
2009-12-17 Teemu MurtolaVelocities and forces for selections. tree | commitdiff
2009-12-17 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-12-17 Michael ShirtsChanged eiVV2 to eiVVAK, and "md-vv2" to "md-vv-avek... tree | commitdiff
2009-12-17 Berk HessMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-12-17 Peter KassonMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-12-16 unknownFixed name clashes with pre-defined names in our favori... tree | commitdiff
2009-12-15 Berk Hessadded PME subdivision to cycle counters tree | commitdiff
2009-12-15 Berk Hessadded PME subdivision to cycle counters tree | commitdiff
2009-12-14 Peter KassonMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-12-14 Peter KassonChanged SSE typecasts back to #defines for portability... tree | commitdiff
2009-12-14 Peter KassonMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-12-12 Erik LindahlReplaced acos-based method for calculating angles betwe... tree | commitdiff
2009-12-11 Peter KassonMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-12-11 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2009-12-11 Sander Pronkthread_mpi: fixed 32-bit x86 atomics + a small bug... tree | commitdiff
2009-12-11 Per LarssonFixed a few bugs in the SSE2 intrinsics in include... tree | commitdiff
2009-12-09 Sander PronkFixed duplicate vmdio.h file in include/Makefile.am tree | commitdiff
2009-12-09 Sander PronkAdded MPI_Cart_sub() to thread_mpi. tree | commitdiff
2009-12-07 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2009-12-07 Berk Hessadded new include files to include/Makefile.am tree | commitdiff
2009-12-05 Michael Shirtsmade some output fixes. tree | commitdiff
2009-12-05 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-12-04 Michael ShirtsRewrite of the half-step ekin for velocity verlet,... tree | commitdiff
2009-12-02 Berk Hessfixed ga2la index for empty DD cells tree | commitdiff
2009-12-02 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2009-12-01 David van der SpoelAdded include/vmdio.h to the installable headers due... tree | commitdiff
2009-11-30 Roland Schulzclose all files with ffclose which are opened with... tree | commitdiff
2009-11-30 Roland Schulzfull license text for vmd files tree | commitdiff
2009-11-30 Roland Schulzadded missing include files tree | commitdiff
2009-11-30 Roland SchulzMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-11-30 Roland Schulzreorganized so that it is easier to use vmdplugins... tree | commitdiff
2009-11-29 Michael ShirtsFix for parallel temperature and pressure on initial... tree | commitdiff
2009-11-28 Michael ShirtsWorking for checkpointing in the same way as the CVS... tree | commitdiff
2009-11-28 Michael ShirtsMajority of commits for correct checkpointing. tree | commitdiff
2009-11-27 Sander PronkFixed more C++ issues: the selection parser, and a... tree | commitdiff
2009-11-27 Sander PronkC++ fixes: thread_mpi fixes tree | commitdiff
2009-11-27 Roland SchulzMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-11-27 Roland Schulz More C++ fixes 2/2: header files were not included... tree | commitdiff
2009-11-27 Sander PronkMore C++ fixes: header files were not included in their tree | commitdiff
2009-11-27 Roland SchulzMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-11-27 Roland SchulzC++ fixes part2; extern C fixes in header files a*... tree | commitdiff
2009-11-27 Sander PronkC++ fixes: fixed 'extern "C"' in header files m-z. tree | commitdiff
2009-11-27 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-11-26 Roland Schulzc++ fixes, mainly const char tree | commitdiff
2009-11-26 Roland SchulzAdded VMD molfile plugin support to the analysis tools. tree | commitdiff
2009-11-26 Michael ShirtsCorrection to use the reference pressure, not the exter... tree | commitdiff
2009-11-25 Sander Pronkxlc for ppc memory barriers fixed. tree | commitdiff
2009-11-23 Michael ShirtsApparently works with all the methods now, both with... tree | commitdiff
2009-11-23 Sander PronkNon-bonded kernel source files now conditionally includ... tree | commitdiff
2009-11-23 Berkadded check for definition of LLONG_MAX tree | commitdiff
2009-11-20 Michael ShirtsWorking with velocity verlet / harmonic bonds with... tree | commitdiff
2009-11-20 Michael ShirtsAlmost working now! not vv for average kinetic energy... tree | commitdiff
2009-11-19 Berk HessMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-11-19 Michael ShirtsPartway through with rationalization of different integ... tree | commitdiff
2009-11-18 Berkimproved residue numbering tree | commitdiff
2009-11-18 Michael ShirtsFix for kinetic average energy. tree | commitdiff
2009-11-16 Michael ShirtsBugfixes for reformatting trotter setup. tree | commitdiff
2009-11-15 Michael ShirtsChanged the organization of trotter updates to make... tree | commitdiff
2009-11-14 Michael Shirtschanged setup of trotter decomposition to make it easie... tree | commitdiff
2009-11-12 Berkfixed distance restraints when present in multiple... tree | commitdiff
2009-11-11 Peter KassonMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-11-11 Teemu MurtolaFixed segfaults with empty selections. tree | commitdiff
2009-11-11 Peter KassonMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-11-11 Berk Hessadded exclusion support for cg-cg loops tree | commitdiff
2009-11-11 Berkmade CG neighbor lists switchable with an env.var. tree | commitdiff
2009-11-10 Berk HessMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-11-09 Peter KassonMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-11-09 Sander PronkMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2009-11-09 Sander Pronkfixes for atomic swap function & gmxfio md5 calc. tree | commitdiff
2009-11-08 Peter KassonMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-11-06 Teemu MurtolaA bit more modular selection position handling. tree | commitdiff
2009-11-05 Teemu MurtolaMore modular position handling. tree | commitdiff
2009-11-05 Michael ShirtsFormat changes to fix global_stat temperature bug ... tree | commitdiff
2009-11-05 Michael ShirtsCommitting changes to have the arguments to compute_glo... tree | commitdiff
2009-11-04 Sander PronkNew thread_mpi; copy buffer works & improves performance. tree | commitdiff
2009-10-29 Teemu MurtolaImproved interactive selection input. tree | commitdiff
2009-10-25 Michael ShirtsAdded a bug fix for communication of iterated integrato... tree | commitdiff
2009-10-25 Michael Shirtsadded changes to take alpha out of the ir->opts. now... tree | commitdiff
2009-10-25 Michael ShirtsMade changes suggested by Berk. tree | commitdiff
2009-10-21 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2009-10-20 Roland Schulzadded missing md5 files tree | commitdiff
2009-10-20 Roland Schulzmd5sum and locking for appending of files tree | commitdiff
2009-10-19 Roland Schulzformat tree | commitdiff
2009-10-12 Carsten KutznerMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2009-10-12 Carsten Kutznercycle counters can now be reset by a (hidden) mdrun... tree | commitdiff
2009-10-12 Sander PronkCleaned up parallel detection in pme & other places. tree | commitdiff
2009-10-09 Teemu MurtolaImplemented selections like "occupancy 0.5 to 1". tree | commitdiff
2009-10-08 Erik LindahlFixed MSVC build errors tree | commitdiff
2009-10-08 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2009-10-08 Erik LindahlUpdated SSE2 intrinsics in preparation for new kernels. tree | commitdiff
2009-10-08 Teemu MurtolaSelection output to xvgr files is now cleaner. tree | commitdiff
2009-10-07 Sander Pronkfixed icc on windows atomics issue. tree | commitdiff
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