| 2012-11-29 |
Mark Abraham | Update copyright statements and change license to LGPL |
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| 2012-11-26 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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| 2012-11-26 |
Erik Lindahl | Merge "Extended build information output and reference... |
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| 2012-11-26 |
Berk Hess | added nbnxn analytical Ewald correction kernels |
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| 2012-11-20 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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| 2012-11-08 |
Christoph Junghans | Merge "auto-set nvcc host compiler with FindMPI detecti... |
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| 2012-11-08 |
Erik Lindahl | Infrastructure for new group kernels, and new C kernels |
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| 2012-11-03 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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| 2012-10-02 |
Szilard Pall | added Verlet scheme and NxN non-bonded functionality |
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| 2012-10-01 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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| 2012-09-03 |
Szilard Pall | Merge branch 'release-4-5-patches' into release-4-6 |
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| 2012-07-13 |
Roland Schulz | Merge release-4.5-patches into HEAD |
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| 2012-06-04 |
Michael Shirts | Merging in free energy, exp. ensemble, & andersen t... |
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| 2012-06-01 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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| 2012-05-07 |
Teemu Murtola | Merge branch 'gerrit/release-4-5-patches' into release-4-6 |
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| 2012-04-29 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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| 2012-04-29 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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| 2012-04-26 |
Berk Hess | Merge release-4-5-patches into release-4-6 |
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| 2012-04-03 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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| 2012-03-28 |
Szilard Pall | Merge branch 'release-4-5-patches' into release-4-6 |
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| 2012-03-16 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
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| 2012-02-29 |
Szilard Pall | Merge branch 'release-4-5-patches' into release-4-6 |
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| 2012-02-23 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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| 2012-02-08 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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| 2012-02-03 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
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| 2012-01-25 |
Roland Schulz | Merge "Merge release-4-5-patches into release-4-6"... |
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| 2012-01-25 |
Berk Hess | Merge "Added two new bonded functions." into release-4-6 |
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| 2012-01-25 |
David van der Spoel | Added two new bonded functions. |
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| 2011-01-30 |
David van der Spoel | Merge branch 'release-4-5-patches' into orderparm |
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| 2010-06-09 |
Gerrit Groenhof | Merge branch 'master' into qmmm |
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| 2010-05-07 |
Szilard Pall | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2010-05-02 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2010-04-30 |
Berk Hess | Merge commit 'origin/master' into 2dpme |
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| 2010-04-30 |
Berk Hess | corrected pme gather flop count from 12 to 6 |
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| 2010-04-27 |
Berk Hess | resolved merge conflicts |
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| 2010-03-12 |
David van der Spoel | Merge branch 'master' of git.gromacs.org:gromacs |
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| 2010-03-11 |
Berk Hess | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2010-03-11 |
Rossen Apostolov | Initial porting, do_md_openmm_nopatch.h is used. |
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| 2010-03-02 |
Roland Schulz | Merge branch 'release-4-0-patches' |
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| 2010-01-19 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2010-01-07 |
Michael Shirts | Merge branch 'master' of git://git.gromacs.org/gromacs |
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| 2010-01-05 |
Berk Hess | renamed restr. bond to restraint pot. |
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| 2010-01-04 |
Michael Shirts | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2010-01-04 |
Berk Hess | implemented restraint bonds |
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| 2009-09-23 |
Michael Shirts | 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@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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| 2009-09-12 |
Roland Schulz | Merge branch 'master' of git@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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| 2009-09-09 |
Erik Lindahl | New all-vs-all loops and working SSE gb kernels+radii... |
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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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| 2009-08-31 |
David van der Spoel | Merge branch 'master' of git@git.gromacs.org:gromacs |
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| 2009-08-30 |
kasson | Tool merge |
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| 2009-08-30 |
Erik Lindahl | Initial all-vs-all kernels. Single precision SSE working. |
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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 |
teemu | Improved compilation (no errors, less warnings) of... |
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| 2009-02-02 |
hess | changed most step count variables from int to gmx_step_t |
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| 2009-01-30 |
lindahl | Initial commit of generalized born electrostatics.... |
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| 2009-01-23 |
hess | fixed non-bonded force count for water loops |
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| 2009-01-23 |
hess | fixed non-bonded force count for water loops |
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| 2008-12-01 |
hess | fixed performance print when run is terminated or with... |
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| 2008-12-01 |
hess | fixed performance print when run is terminated or with... |
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| 2008-11-13 |
hess | removed the gmx_pmeonlynode calls, nrnb now no longer... |
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| 2008-11-13 |
hess | removed the gmx_pmeonlynode calls, nrnb now no longer... |
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| 2008-08-08 |
hess | reformatted the flops and performance output |
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| 2008-01-04 |
hess | merged vsite_cog and vsite_com into vsiten |
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| 2008-01-04 |
hess | implemented COG and COM vsites |
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| 2007-12-21 |
hess | added DD load balancing analysis |
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| 2007-10-07 |
lindahl | Updated flopcount for new vsite type. |
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| 2007-10-01 |
lindahl | Added new 4FDN vsite type that should be more stable... |
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| 2007-09-07 |
spoel | Fixed ifdef for debugging |
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| 2007-04-12 |
hess | made space for more seconds and M-flops in the accounti... |
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| 2007-02-13 |
hess | added pbc=xy and walls, added a separate mdp option... |
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| 2007-01-04 |
hess | removed 0 entries from print_nrnb and fixed the formatt... |
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| 2006-12-08 |
hess | implemented tabulated bonded potentials |
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| 2006-10-16 |
hess | changed the velocity constraining from positional diffe... |
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| 2006-08-25 |
hess | changed the flops count for put_charge_groups_in_box |
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| 2006-05-30 |
hess | added option -comm to mdrun and moved the nrnb communic... |
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| 2006-04-19 |
lindahl | fatal.h clashes with system headers on AIX. Renamed... |
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| 2006-01-17 |
hess | changed the cgcm nrnb to count per atom iso per cg |
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| 2005-08-30 |
lindahl | Changed flopcount for 1,4 interactions |
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| 2005-08-29 |
lindahl | Fixed compiler warning issues. |
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| 2005-08-05 |
spoel | Changed output from ps/hour to ns/day |
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| 2005-06-03 |
spoel | Added a new polarization type: Thole polarization for... |
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| 2005-03-11 |
hess | Huge constraint virial fix: moved the constraint virial... |
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| 2005-03-09 |
hess | fixed the flops count for the energy-only loops and... |
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| 2005-03-01 |
hess | implemented test particle insertion, activated the... |
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| 2005-02-02 |
lindahl | Updated name of 1,4 nonbonded flopcount entry. |
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| 2005-01-10 |
hess | added flops count for 'normal' 1-4, problems will occur... |
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| 2005-01-04 |
hess | fixed the flops count formatting once again (broke... |
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| 2004-12-26 |
lindahl | Fixed conflict in previous commit. |
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| 2004-12-26 |
lindahl | Added new kernels to nrnb lists. |
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| 2004-12-15 |
hess | added FENE bond and quartic angle potentials and slight... |
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| 2004-12-14 |
hess | renamed all dummy/dummies to vsite/vsites in all filena... |
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| 2004-09-24 |
spoel | Added more info for debugging and testing. |
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| 2004-09-19 |
spoel | Added a little extra information (which inner loop... |
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| 2004-06-22 |
hess | fixed incorrect innerloop choice with free-energy=yes... |
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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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