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alexxy/gromacs.git
2015-08-28 Maxim Koltsovcmdlinerunner.cpp: use ICommandLineOptionsModule pygromacs commit | commitdiff | tree | snapshot
2015-08-02 Alexey ShvetsovMerge branch 'master' into pygromacs commit | commitdiff | tree | snapshot
2015-07-31 David van der... Change initial parameters for testing expfit. commit | commitdiff | tree | snapshot
2015-07-29 David van der... Code for checking xvg files in testutils. commit | commitdiff | tree | snapshot
2015-07-29 Erik LindahlMoved another bunch of mdlib utils to C++ commit | commitdiff | tree | snapshot
2015-07-29 Erik LindahlFix a table generation bug for pme-shift commit | commitdiff | tree | snapshot
2015-07-29 Erik LindahlUpdate naming standards to avoid hungarian notation... commit | commitdiff | tree | snapshot
2015-07-28 Erik LindahlMoved second half of gmxana tools to C++ commit | commitdiff | tree | snapshot
2015-07-28 Erik LindahlMoved first batch of analysis tool source to C++ commit | commitdiff | tree | snapshot
2015-07-28 Alexey ShvetsovUpdate headers, fix style for some py files commit | commitdiff | tree | snapshot
2015-07-28 Alexey ShvetsovUncrustify files commit | commitdiff | tree | snapshot
2015-07-28 Maxim KoltsovMerge branch 'pygromacs' of git+ssh://biod.pnpi.spb... commit | commitdiff | tree | snapshot
2015-07-28 Maxim KoltsovAdapt to latest changes in GROMACS commit | commitdiff | tree | snapshot
2015-07-28 Alexey ShvetsovMerge branch 'master' into pygromacs commit | commitdiff | tree | snapshot
2015-07-28 Roland SchulzConverted 2xnn kernel to C++ commit | commitdiff | tree | snapshot
2015-07-28 Alexey ShvetsovMerge branch 'master' into pygromacs commit | commitdiff | tree | snapshot
2015-07-28 Erik LindahlConvert support files in gmxana to C++ commit | commitdiff | tree | snapshot
2015-07-28 Erik LindahlMoved timing source to C++ commit | commitdiff | tree | snapshot
2015-07-27 Alexey ShvetsovMerge branch 'master' into pygromacs commit | commitdiff | tree | snapshot
2015-07-27 Erik LindahlMoved additional gmxlib sources to C++ commit | commitdiff | tree | snapshot
2015-07-27 Alexey ShvetsovMerge branch 'master' into pygromacs commit | commitdiff | tree | snapshot
2015-07-26 Mark AbrahamConvert some mdrun utility code to C++ commit | commitdiff | tree | snapshot
2015-07-26 Erik LindahlMerge branch release-5-1 commit | commitdiff | tree | snapshot
2015-07-26 Mark AbrahamMerge branch release-5-0 into release-5-1 commit | commitdiff | tree | snapshot
2015-07-26 Mark AbrahamStop mdrun printing potentially undefined value commit | commitdiff | tree | snapshot
2015-07-26 Mark AbrahamVersion bumps after new release commit | commitdiff | tree | snapshot
2015-07-26 Alexey ShvetsovMerge branch 'master' into pygromacs commit | commitdiff | tree | snapshot
2015-07-25 Teemu MurtolaRemove Options::isSet() commit | commitdiff | tree | snapshot
2015-07-25 Teemu MurtolaAdd basic grouping to Options commit | commitdiff | tree | snapshot
2015-07-25 Teemu MurtolaExtract IOptionsContainer from Options commit | commitdiff | tree | snapshot
2015-07-24 Alexey ShvetsovMerge branch 'master' into pygromacs commit | commitdiff | tree | snapshot
2015-07-24 Mark AbrahamMerge branch release-5-1 commit | commitdiff | tree | snapshot
2015-07-24 Rossen ApostolovConverted correlationfuntcions to C++. commit | commitdiff | tree | snapshot
2015-07-24 Mark AbrahamVersion 5.0.6 commit | commitdiff | tree | snapshot
2015-07-24 Teemu MurtolaRename trnio routines commit | commitdiff | tree | snapshot
2015-07-24 Teemu MurtolaRename trnio.* to trrio.* commit | commitdiff | tree | snapshot
2015-07-24 Alexey ShvetsovMerge branch 'master' into pygromacs commit | commitdiff | tree | snapshot
2015-07-23 Teemu MurtolaSplit espresso I/O routines from confio.cpp commit | commitdiff | tree | snapshot
2015-07-22 Teemu MurtolaSplit gro I/O routines from confio.cpp commit | commitdiff | tree | snapshot
2015-07-22 Teemu MurtolaSplit g96 I/O routines from confio.cpp commit | commitdiff | tree | snapshot
2015-07-22 Teemu MurtolaMove read_tps_conf() to confio.h commit | commitdiff | tree | snapshot
2015-07-22 Teemu MurtolaAdd basic tests for reading/writing structure files commit | commitdiff | tree | snapshot
2015-07-21 Maxim KoltsovAdapt python bindings for Options changes commit | commitdiff | tree | snapshot
2015-07-20 Teemu MurtolaMerge release-5-0 into release-5-1 commit | commitdiff | tree | snapshot
2015-07-19 Mark AbrahamUpdate advice about grompp -t commit | commitdiff | tree | snapshot
2015-07-19 Alexey ShvetsovMerge branch 'master' into pygromacs commit | commitdiff | tree | snapshot
2015-07-18 Alexey ShvetsovAdapt changes from 7a6907d to py interface commit | commitdiff | tree | snapshot
2015-07-18 Alexey ShvetsovMerge branch 'master' into pygromacs commit | commitdiff | tree | snapshot
2015-07-18 Teemu MurtolaMove Options::setDescription() elsewhere commit | commitdiff | tree | snapshot
2015-07-18 Teemu MurtolaChange naming convention for C++ interfaces commit | commitdiff | tree | snapshot
2015-07-17 Carlo CamilloniFixed gmx sasa output residue numbering commit | commitdiff | tree | snapshot
2015-07-17 Erik LindahlMoved statistics source to C++ commit | commitdiff | tree | snapshot
2015-07-17 Alexey ShvetsovMerge branch 'master' into pygromacs commit | commitdiff | tree | snapshot
2015-07-17 Erik LindahlFixed static analyzer warnings commit | commitdiff | tree | snapshot
2015-07-17 Erik LindahlFix incorrect warning about only using single core commit | commitdiff | tree | snapshot
2015-07-16 Alexey ShvetsovFix build failure in view/filter.cpp commit | commitdiff | tree | snapshot
2015-07-16 Maxim KoltsovAllow access to data produced by modules in pipeline commit | commitdiff | tree | snapshot
2015-07-15 Alexey ShvetsovMerge branch 'master' into pygromacs commit | commitdiff | tree | snapshot
2015-07-15 Carsten KutznerRemoved information about obsolete .edo file format commit | commitdiff | tree | snapshot
2015-07-15 James W. BarnettImplement zsh shell completions. commit | commitdiff | tree | snapshot
2015-07-15 Maxim KoltsovAdd high-level pipeline API commit | commitdiff | tree | snapshot
2015-07-14 James W. BarnettUpdate example old mdp file in user guide. commit | commitdiff | tree | snapshot
2015-07-14 Erik LindahlMove fileio sources to C++ commit | commitdiff | tree | snapshot
2015-07-14 Mark AbrahamConverted gmxpreprocess to compile as C++ commit | commitdiff | tree | snapshot
2015-07-14 Erik LindahlMove remaining C files in utility to C++ commit | commitdiff | tree | snapshot
2015-07-13 James W. BarnettFix spelling errors in user guide. commit | commitdiff | tree | snapshot
2015-07-11 Roland SchulzUpdate kernel templates to match kernels commit | commitdiff | tree | snapshot
2015-07-10 Erik LindahlUse cmakedefine01 for more trivial defines commit | commitdiff | tree | snapshot
2015-07-10 Alexey ShvetsovMerge branch 'master' into pygromacs commit | commitdiff | tree | snapshot
2015-07-10 Erik LindahlMoved tools files to C++ commit | commitdiff | tree | snapshot
2015-07-10 Teemu MurtolaMore gmxfio simplification commit | commitdiff | tree | snapshot
2015-07-09 Teemu MurtolaFix -deffnm -multi[dir] commit | commitdiff | tree | snapshot
2015-07-09 Erik LindahlMerge "Merge release-5-1 into master" commit | commitdiff | tree | snapshot
2015-07-09 Roland SchulzNew quotes commit | commitdiff | tree | snapshot
2015-07-08 Roland SchulzMerge release-5-1 into master commit | commitdiff | tree | snapshot
2015-07-08 Roland SchulzMerge release-5-0 into release-5-1 commit | commitdiff | tree | snapshot
2015-07-08 Erik LindahlMove generalized born to C++ commit | commitdiff | tree | snapshot
2015-07-08 Erik LindahlMove FFT defines to use cmakedefine01 commit | commitdiff | tree | snapshot
2015-07-08 Mark AbrahamGive bTypePerturbed a valid initial value commit | commitdiff | tree | snapshot
2015-07-08 Berk HessSeparated bonded and Ewald correction threading commit | commitdiff | tree | snapshot
2015-07-08 Erik LindahlMove endian, float format and XDR settings to cmakedefine01 commit | commitdiff | tree | snapshot
2015-07-08 Mark AbrahamFix grompp .edr IO estimate for free-energy calcs commit | commitdiff | tree | snapshot
2015-07-08 Erik LindahlCleanup and remove unused SSE2 generalized born code commit | commitdiff | tree | snapshot
2015-07-08 Roland SchulzMerge release-4-6 into release-5-0 commit | commitdiff | tree | snapshot
2015-07-08 Erik LindahlMove old neighborsearch code to C++ commit | commitdiff | tree | snapshot
2015-07-07 Erik LindahlMove QMMM source to C++ commit | commitdiff | tree | snapshot
2015-07-07 Teemu MurtolaWrap uses of thread_mpi/mutex.h commit | commitdiff | tree | snapshot
2015-07-06 Mark AbrahamFirst 5.1 release candidate commit | commitdiff | tree | snapshot
2015-07-06 Berk HessFix too small GPU pair count estimates commit | commitdiff | tree | snapshot
2015-07-06 Berk HessFix bug in GPU list balancing commit | commitdiff | tree | snapshot
2015-07-05 Teemu MurtolaImprove gmx help -export Sphinx rebuild behavior commit | commitdiff | tree | snapshot
2015-07-05 Berk HessFix DD DLB state issue commit | commitdiff | tree | snapshot
2015-07-05 Berk HessFix bug in GPU list balancing commit | commitdiff | tree | snapshot
2015-07-04 Teemu MurtolaFix error wrapping in interactive selection input commit | commitdiff | tree | snapshot
2015-07-04 Teemu MurtolaTests for interactive selection input commit | commitdiff | tree | snapshot
2015-07-04 Teemu MurtolaFix copy-paste bug in gmx distance commit | commitdiff | tree | snapshot
2015-07-04 Teemu MurtolaRefactor for testing interactive selection input commit | commitdiff | tree | snapshot
2015-07-04 Teemu MurtolaRemove gmx::File (except for File::exists()) commit | commitdiff | tree | snapshot
2015-07-04 Teemu MurtolaReplace direct uses of gmx::File with streams commit | commitdiff | tree | snapshot
2015-07-04 Teemu MurtolaBump various version numbers commit | commitdiff | tree | snapshot
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