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Code for checking xvg files in testutils.
[alexxy/gromacs.git] / src /
2015-07-29 David van der SpoelCode for checking xvg files in testutils. tree | commitdiff
2015-07-29 Erik LindahlMoved another bunch of mdlib utils to C++ tree | commitdiff
2015-07-29 Erik LindahlFix a table generation bug for pme-shift tree | commitdiff
2015-07-28 Erik LindahlMoved second half of gmxana tools to C++ tree | commitdiff
2015-07-28 Erik LindahlMoved first batch of analysis tool source to C++ tree | commitdiff
2015-07-28 Roland SchulzConverted 2xnn kernel to C++ tree | commitdiff
2015-07-28 Erik LindahlConvert support files in gmxana to C++ tree | commitdiff
2015-07-28 Erik LindahlMoved timing source to C++ tree | commitdiff
2015-07-27 Erik LindahlMoved additional gmxlib sources to C++ tree | commitdiff
2015-07-26 Mark AbrahamConvert some mdrun utility code to C++ tree | commitdiff
2015-07-26 Erik LindahlMerge branch release-5-1 tree | commitdiff
2015-07-26 Mark AbrahamMerge branch release-5-0 into release-5-1 tree | commitdiff
2015-07-26 Mark AbrahamStop mdrun printing potentially undefined value tree | commitdiff
2015-07-25 Teemu MurtolaRemove Options::isSet() tree | commitdiff
2015-07-25 Teemu MurtolaAdd basic grouping to Options tree | commitdiff
2015-07-25 Teemu MurtolaExtract IOptionsContainer from Options tree | commitdiff
2015-07-24 Mark AbrahamMerge branch release-5-1 tree | commitdiff
2015-07-24 Rossen ApostolovConverted correlationfuntcions to C++. tree | commitdiff
2015-07-24 Teemu MurtolaRename trnio routines tree | commitdiff
2015-07-24 Teemu MurtolaRename trnio.* to trrio.* tree | commitdiff
2015-07-23 Teemu MurtolaSplit espresso I/O routines from confio.cpp tree | commitdiff
2015-07-22 Teemu MurtolaSplit gro I/O routines from confio.cpp tree | commitdiff
2015-07-22 Teemu MurtolaSplit g96 I/O routines from confio.cpp tree | commitdiff
2015-07-22 Teemu MurtolaMove read_tps_conf() to confio.h tree | commitdiff
2015-07-22 Teemu MurtolaAdd basic tests for reading/writing structure files tree | commitdiff
2015-07-20 Teemu MurtolaMerge release-5-0 into release-5-1 tree | commitdiff
2015-07-19 Mark AbrahamUpdate advice about grompp -t tree | commitdiff
2015-07-18 Teemu MurtolaMove Options::setDescription() elsewhere tree | commitdiff
2015-07-18 Teemu MurtolaChange naming convention for C++ interfaces tree | commitdiff
2015-07-17 Carlo CamilloniFixed gmx sasa output residue numbering tree | commitdiff
2015-07-17 Erik LindahlMoved statistics source to C++ tree | commitdiff
2015-07-17 Erik LindahlFixed static analyzer warnings tree | commitdiff
2015-07-17 Erik LindahlFix incorrect warning about only using single core tree | commitdiff
2015-07-16 Alexey ShvetsovFix build failure in view/filter.cpp tree | commitdiff
2015-07-15 James W. BarnettImplement zsh shell completions. tree | commitdiff
2015-07-14 Erik LindahlMove fileio sources to C++ tree | commitdiff
2015-07-14 Mark AbrahamConverted gmxpreprocess to compile as C++ tree | commitdiff
2015-07-14 Erik LindahlMove remaining C files in utility to C++ tree | commitdiff
2015-07-11 Roland SchulzUpdate kernel templates to match kernels tree | commitdiff
2015-07-10 Erik LindahlUse cmakedefine01 for more trivial defines tree | commitdiff
2015-07-10 Erik LindahlMoved tools files to C++ tree | commitdiff
2015-07-10 Teemu MurtolaMore gmxfio simplification tree | commitdiff
2015-07-09 Teemu MurtolaFix -deffnm -multi[dir] tree | commitdiff
2015-07-09 Erik LindahlMerge "Merge release-5-1 into master" tree | commitdiff
2015-07-08 Roland SchulzMerge release-5-1 into master tree | commitdiff
2015-07-08 Roland SchulzMerge release-5-0 into release-5-1 tree | commitdiff
2015-07-08 Erik LindahlMove generalized born to C++ tree | commitdiff
2015-07-08 Erik LindahlMove FFT defines to use cmakedefine01 tree | commitdiff
2015-07-08 Mark AbrahamGive bTypePerturbed a valid initial value tree | commitdiff
2015-07-08 Berk HessSeparated bonded and Ewald correction threading tree | commitdiff
2015-07-08 Erik LindahlMove endian, float format and XDR settings to cmakedefine01 tree | commitdiff
2015-07-08 Mark AbrahamFix grompp .edr IO estimate for free-energy calcs tree | commitdiff
2015-07-08 Erik LindahlCleanup and remove unused SSE2 generalized born code tree | commitdiff
2015-07-08 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2015-07-08 Erik LindahlMove old neighborsearch code to C++ tree | commitdiff
2015-07-07 Erik LindahlMove QMMM source to C++ tree | commitdiff
2015-07-07 Teemu MurtolaWrap uses of thread_mpi/mutex.h tree | commitdiff
2015-07-06 Berk HessFix too small GPU pair count estimates tree | commitdiff
2015-07-06 Berk HessFix bug in GPU list balancing tree | commitdiff
2015-07-05 Teemu MurtolaImprove gmx help -export Sphinx rebuild behavior tree | commitdiff
2015-07-05 Berk HessFix DD DLB state issue tree | commitdiff
2015-07-05 Berk HessFix bug in GPU list balancing tree | commitdiff
2015-07-04 Teemu MurtolaFix error wrapping in interactive selection input tree | commitdiff
2015-07-04 Teemu MurtolaTests for interactive selection input tree | commitdiff
2015-07-04 Teemu MurtolaFix copy-paste bug in gmx distance tree | commitdiff
2015-07-04 Teemu MurtolaRefactor for testing interactive selection input tree | commitdiff
2015-07-04 Teemu MurtolaRemove gmx::File (except for File::exists()) tree | commitdiff
2015-07-04 Teemu MurtolaReplace direct uses of gmx::File with streams tree | commitdiff
2015-07-04 Teemu MurtolaMake some unit tests use mock file output tree | commitdiff
2015-07-04 Berk HessObey OpenMP thread count limit with tMPI tree | commitdiff
2015-07-04 Berk HessFix two PME DLB trigger issues tree | commitdiff
2015-07-03 Mark AbrahamFix ThreadMPI GPU assumptions tree | commitdiff
2015-07-03 Berk HessCorrect grompp pull warning message tree | commitdiff
2015-07-02 Teemu MurtolaConvert gmxfio to C++ tree | commitdiff
2015-07-02 Szilard PallFix OpenCL compilation errors. tree | commitdiff
2015-07-02 Teemu MurtolaClean up gmxfio includes tree | commitdiff
2015-07-02 Teemu MurtolaReorder code within gmxfio tree | commitdiff
2015-07-02 Teemu MurtolaFurther gmxfio cleanup related to xdr handling tree | commitdiff
2015-07-02 Teemu MurtolaMinor include sorting changes tree | commitdiff
2015-07-01 Teemu MurtolaClean up unused code from gmxfio tree | commitdiff
2015-06-30 Berk HessFix inconsistent OpenMP automation tree | commitdiff
2015-06-30 Mark AbrahamAvoid GPU data race also with OpenCL tree | commitdiff
2015-06-30 Berk Hessenabled 1 PP + 1 PME node tree | commitdiff
2015-06-30 Berk HessAdd checks for inefficient resource usage tree | commitdiff
2015-06-30 Mark AbrahamAdd support for flushing WDDM queue tree | commitdiff
2015-06-29 Mark AbrahamMerge "Merge branch release-5-0" tree | commitdiff
2015-06-29 Erik LindahlFix OS X openCL builds tree | commitdiff
2015-06-29 Erik LindahlFix bugs in gmx dos tree | commitdiff
2015-06-29 Erik LindahlReplace functions deprecated in OpenCL 1.2 tree | commitdiff
2015-06-29 Teemu MurtolaOnly accept exact matches for selection keywords tree | commitdiff
2015-06-29 Mark AbrahamMerge branch release-5-0 tree | commitdiff
2015-06-29 Mark AbrahamMerge release-4-6 into release-5-0 tree | commitdiff
2015-06-29 ancaImplement OpenCL support tree | commitdiff
2015-06-29 Mark AbrahamAdd MSAN build type tree | commitdiff
2015-06-29 Erik LindahlFix bug removing multiple dihedrals in main rtp entries tree | commitdiff
2015-06-29 Mark AbrahamFix all use of nbnxn_simd.h tree | commitdiff
2015-06-29 Teemu MurtolaMake some unit tests skip file system access tree | commitdiff
2015-06-29 Erik LindahlRemoved gmx protonate tool tree | commitdiff
2015-06-29 Berk HessImprove DLB+PME tuning with GPUs tree | commitdiff
2015-06-29 Szilard PallFix CUDA inter-stream synchronization issue tree | commitdiff
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