| 2010-08-25 |
Rossen Apostolov | Redefine the default boolean type to gmx_bool. |
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| 2010-06-09 |
Gerrit Groenhof | Merge branch 'master' into qmmm |
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| 2010-04-27 |
Berk Hess | resolved merge conflicts |
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| 2010-03-02 |
Roland Schulz | Merge branch 'release-4-0-patches' |
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| 2010-01-26 |
kasson | Check for infinite values in LINCS warnings. |
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| 2010-01-05 |
Roland Schulz | Undo Michael's accidental commits with: |
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| 2010-01-04 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-12-27 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-12-27 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-12-23 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-12-20 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-12-19 |
Michael Shirts | Committing to merge |
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| 2009-09-14 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-09-14 |
David van der Spoel | Merge branch 'master' of git.gromacs.org:gromacs |
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| 2009-09-09 |
Michael Shirts | Merge branch 'master' of git://git.gromacs.org/gromacs |
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| 2009-09-09 |
Erik Lindahl | Merge branch 'master' of git.gromacs.org:gromacs |
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| 2009-09-07 |
Roland Schulz | renamed gmx_step_t to gmx_large_int_t. gmx_large_int_t... |
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| 2009-08-30 |
kasson | Tool merge |
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| 2009-08-27 |
Per Larsson | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-08-27 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-08-26 |
Erik Lindahl | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-08-26 |
Erik Lindahl | Changed invsqrt() to gmx_invsqrt() to accuracy loss... |
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| 2009-08-21 |
Sander Pronk | Merge branch 'thread_mpi'. Threads should work for... |
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| 2009-07-10 |
Erik Lindahl | Fixed PD lincs communication iteration step - now x... |
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| 2009-07-10 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-07-09 |
Erik Lindahl | Support for parallel (node-crossing) constraints with... |
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| 2009-06-17 |
Berk Hess | implemented force constraining that work together with... |
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| 2009-06-04 |
Erik Lindahl | Removed Id tags from master branch since they will... |
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| 2009-06-03 |
hess | updated for C++ compilation |
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| 2009-02-02 |
hess | changed most step count variables from int to gmx_step_t |
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| 2009-01-20 |
lindahl | Merged changes from 4.0.3 release into HEAD. |
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| 2009-01-18 |
lindahl | Fixed a ton of compiler warnings now generated with... |
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| 2008-12-01 |
hess | moved the merging of the F_CONSTRNC ilist into the... |
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| 2008-09-19 |
lindahl | Implemented automatic renaming and optional appending... |
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| 2008-09-16 |
hess | fixed incorrect constraining causing crashes with DD... |
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| 2008-08-07 |
hess | added virial calculation for non-coordinate constraining |
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| 2008-08-07 |
hess | added missing include |
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| 2008-08-05 |
hess | t_topology is now partially replaced by gmx_mtop_t... |
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| 2008-07-28 |
hess | removed the global indices for the lincs code, now... |
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| 2008-06-12 |
hess | changed atom number prints in bonded interactions to... |
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| 2008-04-15 |
hess | fixed possible nan when a variable was exactly zero |
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| 2008-04-11 |
hess | implemented checkpoint files |
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| 2008-03-11 |
hess | implemented screw pbc |
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| 2008-03-07 |
hess | reorganized the pbc code, there is now an extra pbc_dx... |
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| 2008-02-02 |
hess | removed a array from t_block for cgs and mols, renamed... |
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| 2008-02-01 |
hess | Added constraint dVdlambda for energy minimization |
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| 2008-01-28 |
hess | moved sim_nodeid from gmx_domdec_t to commrec_t and... |
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| 2008-01-11 |
hess | made two separate sd integrator options |
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| 2008-01-08 |
hess | updated P-LINCS reference |
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| 2007-11-22 |
hess | enabled flexible constraint to be used together with... |
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| 2007-11-16 |
hess | made the shell code compatible with domain decompositio... |
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| 2007-10-26 |
hess | fixed a bug that prevented minimization with flexible... |
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| 2007-08-10 |
hess | added an extra LINCS expansion for only the constraint... |
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| 2007-07-31 |
hess | made some more log prints conditional |
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| 2007-07-13 |
hess | mdrun now only writes a log file on the master node... |
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| 2007-07-10 |
hess | made log file printing on non-master nodes optional... |
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| 2007-05-21 |
hess | fixed slow memory reallocation, especially at the start... |
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| 2007-05-09 |
hess | fixed compiler warnings |
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| 2007-04-02 |
hess | abstracted away the constraint and lincs data types |
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| 2007-03-30 |
hess | complete rewrite of the pull code, now works in paralle... |
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| 2007-03-15 |
hess | Limited the DD boundary displacement to half a cell... |
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| 2007-03-05 |
hess | fixed the cartesian communication for the particle... |
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| 2007-02-13 |
hess | added pbc=xy and walls, added a separate mdp option... |
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| 2006-12-08 |
hess | added a parameter to the constrain call for toggling... |
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| 2006-11-06 |
hess | turned of full pbc with DD when all constraints or... |
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| 2006-10-17 |
hess | moved the pbc with DD to the dd_move routines, the... |
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| 2006-10-16 |
hess | changed the velocity constraining from positional diffe... |
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| 2006-10-06 |
hess | fixed problems when some DD nodes had no constraints |
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| 2006-08-17 |
hess | Finally corrected the problem with DD and PME, which... |
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| 2006-05-17 |
spoel | Removed C++ style comments |
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| 2006-05-12 |
hess | fixed bugs with DD and made lincs warnings print the... |
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| 2006-04-19 |
hess | made size of mdatoms variable and disabled each group... |
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| 2006-04-10 |
hess | change the DD coordinate and force communication to... |
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| 2006-04-06 |
hess | removed the static settle data in low_constrain |
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| 2006-04-05 |
hess | implemented parallel LINCS |
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| 2005-08-30 |
lindahl | Implemented a limit (10000) to the LINCS warnings,... |
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| 2005-07-05 |
hess | fixed a bug introduced in the previous commit which... |
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| 2005-06-21 |
hess | lincs now skips flexible constraint when doing EM |
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| 2005-06-17 |
hess | introduced an t_lincsdata struct to structure the lincs... |
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| 2005-03-11 |
hess | Huge constraint virial fix: moved the constraint virial... |
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| 2005-03-08 |
hess | fixed bug with pbc=full, introduced in the previous... |
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| 2005-03-07 |
hess | LINCS now works with pbc=full |
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| 2004-01-23 |
lindahl | Added conditional inclusion of config.h to source files. |
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| 2003-11-17 |
spoel | Upped the version to 3.2.0 |
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| 2002-11-06 |
lindahl | Partial commit of the project to remove all static... |
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| 2002-08-01 |
lindahl | Improved the performance on Powerpc by tweaking the... |
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| 2002-02-28 |
spoel | Renamed pull-internal.h to pull_internal.h |
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| 2001-05-14 |
lindahl | Tagged files with gromacs 3.0 header |
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| 2001-03-02 |
hess | changed lincs_proj routines to lincsp to avoid fortran... |
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| 2001-02-21 |
hess | added projection only routines for lincs to accomodate... |
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| 2000-05-08 |
spoel | Moved routine, to be able to split fortran and C better |
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| 1999-11-03 |
hess | copyrgted |
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| 1999-11-02 |
hess | removed the fixed loop length of 4 in the lincs innerlo... |
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| 1999-11-01 |
spoel | Added mflops counting for lincs, and fixed some type... |
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| 1999-10-29 |
spoel | Added flops count |
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| 1999-10-28 |
hess | fixed a sign in the lagrange multiplier |
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| 1999-06-03 |
hess | made the numbers of lincs iterations variable |
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| 1999-06-02 |
hess | moved the constraint stuff form update.c to constr.c |
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| 1999-05-16 |
hess | moved from gmxlib to mdlib |
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biod.pnpi.spb.ru / alexxy / gromacs.git / history