Check for implicit solvent + Verlet scheme
[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / readir.c
2014-09-08 Berk HessCheck for implicit solvent + Verlet scheme
2014-09-03 Roland SchulzFix MingW build
2014-09-01 Mark AbrahamMerge branch release-4-6 into release-5-0
2014-08-29 Mark AbrahamMerge branch release-4-6 into release-5-0
2014-08-10 Berk HessAdded checks for TPI + Verlet scheme
2014-08-10 Roland SchulzMerge release-4-6 into release-5-0
2014-06-29 Roland SchulzMerge release-4-6 into release-5-0
2014-06-29 Michael ShirtsAllow printing potential energies to dhdl.xvg file
2014-06-28 Mark AbrahamMerge branch 'release-4-6' into release-5-0
2014-06-28 ngogaDefault SD integrator is now sd1 by Nicu Goga
2014-06-27 Roland SchulzMerge release-4-6 into release-5-0
2014-06-27 Erik LindahlAvoid warnings about coupling when free_energy=no
2014-06-26 Mark AbrahamMerge "Merge release-4-6 into release-5-0" into release-5-0
2014-06-26 Roland SchulzMerge release-4-6 into release-5-0
2014-06-23 Erik LindahlWarn if using nsteps=0 without continuation=yes
2014-06-22 Erik LindahlMake log file option listing similar to mdp names
2014-06-20 Rossen ApostolovRemoved unused parameters and cleanup of inputrec.
2014-06-12 Rossen ApostolovCleanup environment variables.
2014-06-06 Mark AbrahamMerge release-4-6 into release-5-0
2014-05-27 Roland SchulzMerge release-4-6 into release-5-0
2014-05-22 Berk HessAvoid energy drift with verlet-buffer-tolerance
2014-05-10 Roland SchulzMerge release-4-6 into release-5-0
2014-05-09 Roland SchulzMerge "Merge branch release-4-6 into release-5-0" into...
2014-04-29 Mark AbrahamMerge branch release-4-6 into release-5-0
2014-04-10 Mark AbrahamMerge branch 'release-4-6' into release-5-0
2014-04-02 Teemu MurtolaMove string2.* to utility/cstringutil.*
2014-04-01 Teemu MurtolaMove smalloc.h to utility/
2014-03-28 Christian WennbergNew VDW kernel flavour for LJ-PME and updated group...
2014-03-26 Martin HoeflingInteractive Molecular Dynamics (IMD)
2014-03-23 Mark AbrahamMerge branch release-4-6
2014-03-17 Mark AbrahamMerge branch release-4-6
2014-03-05 Mark AbrahamMerge "Merge release-4-6 into master"
2014-03-05 Berk HessBuffer estimate now works with rvd-switch=0
2014-03-03 Roland SchulzMerge release-4-6 into master
2014-03-01 Christoph Junghansswitch ld_seed from int to gmx_int64_t
2014-02-26 Berk HessFree-energy now works with the Verlet scheme
2014-02-26 Erik LindahlAdded message to warn that group kernels are deprecated.
2014-02-24 Berk HessImplemented LJ-PME nbnxn kernels
2014-02-21 Roland SchulzMerge release-4-6 into master
2014-02-20 Mark AbrahamRemove particle decomposition
2014-02-19 Berk HessImplemented nbnxn LJ switch functions
2014-02-18 Mark AbrahamFix harmless bug with combination of group and twin...
2014-02-06 Roland SchulzUse random seeds by default
2014-02-02 Roland SchulzMerge release-4-6 into master
2014-01-29 Berk HessAutomated Verlet rlist for NVE simulations
2014-01-28 Mark AbrahamMerge branch 'release-4-6'
2014-01-28 Carsten KutznerAllow for "computational electrophysiology" simulations...
2014-01-20 Magnus LundborgAdd TNG writing and reading support
2014-01-17 Mark AbrahamClean up inputrec reading
2014-01-09 Roland SchulzMerge release-4-6 into master
2014-01-09 Roland SchulzRemove remaining usage of SIZEOF*
2014-01-08 Mark AbrahamAdd helpful note about changed default behaviour
2014-01-01 Roland SchulzMerge release-4-6 into master
2013-12-03 Berk HessRemoved restriction of one reference pull group
2013-12-02 Berk HessMade cutoff-scheme=Verlet the default
2013-12-02 Berk HessRenamed verlet-buffer-drift to verlet-buffer-tolerance
2013-12-02 Roland SchulzMerge "Merge branch 'release-4-6'"
2013-12-02 Christian WennbergCalculating LJ-interactions using Particle mesh Ewald
2013-12-02 Mark AbrahamMerge branch 'release-4-6'
2013-11-15 Mark AbrahamMerge branch release-4-6
2013-10-30 Roland SchulzMerge release-4-6 into master
2013-10-23 Mark AbrahamMerge branch release-4-6 into master
2013-09-26 Mark AbrahamMerge branch release-4-6
2013-09-20 Mark AbrahamMerge branch 'release-4-6'
2013-09-20 Teemu MurtolaMerge branch 'release-4-6'
2013-07-26 Mark AbrahamMerge branch release-4-6 into master
2013-07-24 Roland SchulzMerge "Merge branch release-4-6 into master"
2013-07-24 Mark AbrahamMerge branch release-4-6 into master
2013-07-21 Teemu MurtolaMore files to C++.
2013-07-18 Alexey Shvetsovgmxlib: clean up -Wunused-parameter warnings
2013-07-14 Alexey Shvetsovgmxpreprocess: clean up -Wunused-parameter warnings
2013-06-27 Roland SchulzMerge branch 'release-4-6' into master
2013-06-27 Roland SchulzMerge branch 'release-4-6' into master
2013-05-30 Mark AbrahamMerge "Merge branch 'release-4-6'"
2013-05-24 Teemu MurtolaMerge branch 'release-4-6'
2013-05-21 Roland SchulzMerge release-4-6 into master
2013-03-20 Roland SchulzMerge release-4-6 into master
2013-03-07 Teemu MurtolaMerge "Uncrustify template.cpp and selection.cpp."
2013-03-07 Teemu MurtolaMerge "Merge release-4-6 into master"
2013-02-26 Roland SchulzMerge release-4-6 into master
2013-02-13 Roland SchulzMerge release-4-6 into master
2013-02-13 Roland SchulzMerge release-4-6 into master
2013-02-13 Roland SchulzCode beautification with uncrustify
2013-01-21 Roland SchulzMerge release-4-6 into master
2013-01-20 Roland SchulzMerge release-4-6 into master
2013-01-15 Roland SchulzMerge release-4-6 into master
2012-12-20 Roland SchulzMerge release-4-6 into master
2012-12-13 Christoph JunghansMerge "Extended genbox to insert molecules at given...
2012-12-12 Roland SchulzMerge release-4-6 into master
2012-12-03 Roland SchulzMerge release-4-6 into master
2012-11-25 Roland SchulzMerge release-4-6 into master
2012-11-19 Roland SchulzMerge 'release-4-6' into master
2012-11-12 Roland SchulzMerge release-4-6 into master
2012-11-10 Roland SchulzMerge release-4-6 into master
2012-11-09 Roland SchulzMerge origin/release-4-6 into master
2012-11-03 Roland SchulzMerge release-4-6 into master
2012-10-25 Roland SchulzMerge remote-tracking branch 'origin/release-4-6' into...
2012-10-19 Roland SchulzMerge branch 'release-4-6'
2012-10-17 Roland SchulzMerge branch 'release-4-6'
2012-10-17 Roland SchulzMerge branch 'release-4-6', adds the nbnxn functionality
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