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alexxy/gromacs.git
2018-02-12 Szilárd PállRemove texture reference support in the CUDA commit | commitdiff | tree | snapshot
2018-02-12 Aleksei IupinovFix the include guard commit | commitdiff | tree | snapshot
2018-02-12 Mark AbrahamRemove commrec from hardware detection commit | commitdiff | tree | snapshot
2018-02-12 Mark AbrahamAnalyse threads on node before setting affinities commit | commitdiff | tree | snapshot
2018-02-12 Mark AbrahamFix reading old force field files commit | commitdiff | tree | snapshot
2018-02-09 Aleksei IupinovRevert "Enable debug FP exceptions without TPI, not... commit | commitdiff | tree | snapshot
2018-02-09 Mark AbrahamMerge branch release-2018 commit | commitdiff | tree | snapshot
2018-02-08 Mark AbrahamUse more portable python shebangs commit | commitdiff | tree | snapshot
2018-02-08 Mark AbrahamMerge "Merge branch release-2016 into release-2018... commit | commitdiff | tree | snapshot
2018-02-08 Mark AbrahamMerge branch release-2016 into release-2018 commit | commitdiff | tree | snapshot
2018-02-08 Berk HessUse SIMD bondeds without perturbed interactions commit | commitdiff | tree | snapshot
2018-02-08 Aleksei IupinovAlways run the essential dynamics tests commit | commitdiff | tree | snapshot
2018-02-08 Aleksei IupinovEnable debug FP exceptions without TPI, not with TPI commit | commitdiff | tree | snapshot
2018-02-08 Mark AbrahamMerge "Merge branch 'release-2018' into master" commit | commitdiff | tree | snapshot
2018-02-08 Aleksei IupinovMerge branch 'release-2018' into master commit | commitdiff | tree | snapshot
2018-02-08 Berk HessAllow bonds with distance=0 commit | commitdiff | tree | snapshot
2018-02-07 Prashanth KanduriCleaning up do_force_cutsVERLET function from wallcycle... commit | commitdiff | tree | snapshot
2018-02-06 Aleksei IupinovRemove unnecessary includes from domdec.h commit | commitdiff | tree | snapshot
2018-02-06 Aleksei IupinovZero unused values to silence the warning commit | commitdiff | tree | snapshot
2018-02-06 Mark AbrahamPrevent log file energy average printing dividing by... commit | commitdiff | tree | snapshot
2018-02-06 Mark AbrahamUse isfinite unambiguously commit | commitdiff | tree | snapshot
2018-02-06 Aleksei IupinovOnly setup Ewald in the generic group kernel if it... commit | commitdiff | tree | snapshot
2018-02-05 Berk HessSet cutoff modifiers in forcerec commit | commitdiff | tree | snapshot
2018-02-05 Aleksei IupinovMake ndx files optional in SimulationRunner commit | commitdiff | tree | snapshot
2018-02-05 Aleksei IupinovRemove mdpInputFileName_ from SimulationRunner, per... commit | commitdiff | tree | snapshot
2018-02-05 Berk HessFix assertion failure in TPI commit | commitdiff | tree | snapshot
2018-02-02 Aleksei IupinovDon't print impossible CUDA version numbers in absence... commit | commitdiff | tree | snapshot
2018-02-02 Aleksei IupinovFix input MDP contents for swap and IMD tests commit | commitdiff | tree | snapshot
2018-02-01 Aleksei IupinovCheck for GTEST_IS_THREADSAFE being defined commit | commitdiff | tree | snapshot
2018-02-01 Paul BauerAdd information for n2t file format commit | commitdiff | tree | snapshot
2018-01-30 Mark AbrahamReplace macros for multi-sim commit | commitdiff | tree | snapshot
2018-01-30 Mark AbrahamUpdate GoogleTest to 1.8.0 commit | commitdiff | tree | snapshot
2018-01-30 Berk HessRemoved unused flag PCA_CAN_READ_NODE commit | commitdiff | tree | snapshot
2018-01-27 Mark AbrahamRemove unused declaration commit | commitdiff | tree | snapshot
2018-01-25 Mark AbrahamRemove unused fields of t_commrec commit | commitdiff | tree | snapshot
2018-01-25 Mark AbrahamReduced includes of common headers in headers commit | commitdiff | tree | snapshot
2018-01-25 Mark AbrahamRemoved mdrun -multi commit | commitdiff | tree | snapshot
2018-01-24 Mark AbrahamChange multi-sim tests to use -multidir commit | commitdiff | tree | snapshot
2018-01-24 Aleksei IupinovRemove unused fields per TODO commit | commitdiff | tree | snapshot
2018-01-24 Mark AbrahamRemove gmx_inline commit | commitdiff | tree | snapshot
2018-01-24 Mark AbrahamTeach include sorter to ignore cmake-test files commit | commitdiff | tree | snapshot
2018-01-24 Mark AbrahamMove Windows icc config to post-submit testing commit | commitdiff | tree | snapshot
2018-01-24 Mark AbrahamReplace gmx_bool with bool in bitmask functions commit | commitdiff | tree | snapshot
2018-01-23 Mark AbrahamRemove support for implicit solvation commit | commitdiff | tree | snapshot
2018-01-23 Mark AbrahamRemove topology support for implicit solvation commit | commitdiff | tree | snapshot
2018-01-23 Aleksei IupinovTest the mixed mode PME with walls and box scaling commit | commitdiff | tree | snapshot
2018-01-23 Aleksei IupinovTest PME CPU/GPU with walls and box scaling commit | commitdiff | tree | snapshot
2018-01-23 Aleksei IupinovWrap the PME testing loop in a method for extensibility commit | commitdiff | tree | snapshot
2018-01-23 Mark AbrahamPreliminary cleanup before removing ifdef cplusplus commit | commitdiff | tree | snapshot
2018-01-22 Roland SchulzAVX512: copysign commit | commitdiff | tree | snapshot
2018-01-19 Roland SchulzAVX512 GCC 5.3 work-around commit | commitdiff | tree | snapshot
2018-01-19 Aleksei IupinovAdd a death test for the duplicate inputrec keys checking commit | commitdiff | tree | snapshot
2018-01-19 Mark AbrahamMerge "Merge branch 'release-2018' into master" commit | commitdiff | tree | snapshot
2018-01-19 Aleksei IupinovRename class BiasReader to struct BiasOutputSetup commit | commitdiff | tree | snapshot
2018-01-19 Mark AbrahamAdd dev-guide docs for automatic update of regressiontests commit | commitdiff | tree | snapshot
2018-01-19 Aleksei IupinovMove the temporary file MPI workaround into the base... commit | commitdiff | tree | snapshot
2018-01-19 Aleksei IupinovMake the reference data variables local in GetIrTest commit | commitdiff | tree | snapshot
2018-01-19 Aleksei IupinovMerge branch 'release-2018' into master commit | commitdiff | tree | snapshot
2018-01-19 Mark AbrahamFixes for issues found by clang 6 commit | commitdiff | tree | snapshot
2018-01-18 Roland SchulzRemove incorrect release-note entry commit | commitdiff | tree | snapshot
2018-01-18 Aleksei IupinovGot rid of manual memory management in the PME overlap... commit | commitdiff | tree | snapshot
2018-01-18 Mark AbrahamBump version numbers for 2019 development commit | commitdiff | tree | snapshot
2018-01-18 Roland SchulzAvoid dynamic STL containers in global init commit | commitdiff | tree | snapshot
2018-01-18 Aleksei IupinovRe-enable multi-rank PME tests (with the file race... commit | commitdiff | tree | snapshot
2018-01-18 Mark AbrahamRemove support for BlueGene commit | commitdiff | tree | snapshot
2018-01-18 Berk HessFix COMM removal on part of the system commit | commitdiff | tree | snapshot
2018-01-18 Paul BauerAdd contribution information to webpage commit | commitdiff | tree | snapshot
2018-01-18 Mark AbrahamPort thread-MPI to compile as C++ commit | commitdiff | tree | snapshot
2018-01-18 Berk HessAdd check in grompp to avoid assertion failure commit | commitdiff | tree | snapshot
2018-01-17 Aleksei IupinovFix box scaling in PME mixed mode commit | commitdiff | tree | snapshot
2018-01-17 Berk HessReplace stderr prints in filenm.cpp by asserts commit | commitdiff | tree | snapshot
2018-01-17 Aleksei IupinovMerge branch 'release-2018' into master commit | commitdiff | tree | snapshot
2018-01-17 Berk HessRe-enable GPU with walls and 1 energy group commit | commitdiff | tree | snapshot
2018-01-16 Mark AbrahamMerge "Merge release-2018 into master" commit | commitdiff | tree | snapshot
2018-01-16 Roland SchulzMerge release-2018 into master commit | commitdiff | tree | snapshot
2018-01-16 Berk HessRemove tumbling ice-cube warning with SD commit | commitdiff | tree | snapshot
2018-01-16 Aleksei IupinovAlways write the input MDP file for testing just before... commit | commitdiff | tree | snapshot
2018-01-16 Berk HessAvoid mdrun echoing "No option -multi" commit | commitdiff | tree | snapshot
2018-01-12 Szilárd PállCall GPU profiler reset on separate PME ranks commit | commitdiff | tree | snapshot
2018-01-11 Aleksei IupinovMove OctaneSandwich.mdp and spc2-IMD.mdp into strings commit | commitdiff | tree | snapshot
2018-01-11 Aleksei IupinovRemove unused alanine_vsite.mdp commit | commitdiff | tree | snapshot
2018-01-11 Mark AbrahamRemove contrib directory commit | commitdiff | tree | snapshot
2018-01-11 Mark AbrahamBumped version for next patch release commit | commitdiff | tree | snapshot
2018-01-11 Mark AbrahamVersion 2018 commit | commitdiff | tree | snapshot
2018-01-11 Mark AbrahamAnnounce in user log files that features are deprecated. commit | commitdiff | tree | snapshot
2018-01-11 Roland SchulzFix GMX_ENABLE_AVX512_TESTS being internal commit | commitdiff | tree | snapshot
2018-01-10 Mark AbrahamFix automated GPU ID assignment commit | commitdiff | tree | snapshot
2018-01-10 Szilárd PállUser guide updates to GPU section commit | commitdiff | tree | snapshot
2018-01-10 Szilárd PállRelease notes tweaks commit | commitdiff | tree | snapshot
2018-01-10 Mark AbrahamAdd release notes to source repo commit | commitdiff | tree | snapshot
2018-01-10 Erik LindahlImprove pdb2gmx for nonstandard residue types commit | commitdiff | tree | snapshot
2018-01-10 Szilárd PállInstall guide updates commit | commitdiff | tree | snapshot
2018-01-10 Szilárd PállEnvironment variable docs maintenance commit | commitdiff | tree | snapshot
2018-01-10 Aleksei IupinovDo not print PME counter breakdown if it's empty commit | commitdiff | tree | snapshot
2018-01-10 Mark AbrahamHandle erroneous command line args better commit | commitdiff | tree | snapshot
2018-01-10 Erik LindahlClarified gmx rmsf documentation commit | commitdiff | tree | snapshot
2018-01-09 Berk HessReword CPU/GPU imbalance notes commit | commitdiff | tree | snapshot
2018-01-09 Mark AbrahamDeactivate autoselect of PME on GPU on separate rank commit | commitdiff | tree | snapshot
2018-01-09 Mark AbrahamClean up user guide for release commit | commitdiff | tree | snapshot
2018-01-09 Mark AbrahamMerge branch release-2016 into release-2018 commit | commitdiff | tree | snapshot
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