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alexxy/gromacs.git
2018-06-06 Erik LindahlUse default CMake path variables commit | commitdiff | tree | snapshot
2018-06-06 Paul BauerFix PQR file output commit | commitdiff | tree | snapshot
2018-06-06 Erik LindahlBump GMX_BUILD_OWN_FFTW to 3.3.8 to avoid bugs commit | commitdiff | tree | snapshot
2018-06-05 Mark AbrahamFixed enemat when .edr had no matching energy groups commit | commitdiff | tree | snapshot
2018-06-05 Mark AbrahamImproved docs for gmx mindist -pi commit | commitdiff | tree | snapshot
2018-06-04 Berk HessFix segv in AWH error message commit | commitdiff | tree | snapshot
2018-05-30 Paul BauerDisallow use of empty box information in solvent files commit | commitdiff | tree | snapshot
2018-05-22 Aleksei IupinovRemove unused results of cudaStreamQuery() commit | commitdiff | tree | snapshot
2018-05-21 Roland SchulzFix illegal instruction error on KNL commit | commitdiff | tree | snapshot
2018-05-03 Berk HessEnable SIMD version of update commit | commitdiff | tree | snapshot
2018-04-24 Berk HessFix indexing issue in the pull code commit | commitdiff | tree | snapshot
2018-04-18 Paul BauerRemove obsolete variable prec gro file output commit | commitdiff | tree | snapshot
2018-04-10 Aleksei IupinovPrevent OpenCL timing memory leak commit | commitdiff | tree | snapshot
2018-04-03 Mark AbrahamRemove leftover mention of twin-range scheme commit | commitdiff | tree | snapshot
2018-04-03 Berk HessChange warninp filenm to std::string commit | commitdiff | tree | snapshot
2018-03-27 Mark AbrahamClarified mdp options relating to bonds commit | commitdiff | tree | snapshot
2018-03-27 Mark AbrahamMore gcc-8 fixes for POWER commit | commitdiff | tree | snapshot
2018-03-22 Mark AbrahamUpdated to prepare for 2018.2 release commit | commitdiff | tree | snapshot
2018-03-21 Mark AbrahamVersion 2018.1 commit | commitdiff | tree | snapshot
2018-03-21 Mark AbrahamMerge "Merge branch release-2016 into release-2018... commit | commitdiff | tree | snapshot
2018-03-21 Mark AbrahamUpdate release notes for 2018.1 commit | commitdiff | tree | snapshot
2018-03-20 Mark AbrahamMerge branch release-2016 into release-2018 commit | commitdiff | tree | snapshot
2018-03-20 Vedran MiletićDocument matrix_convert function in PBC commit | commitdiff | tree | snapshot
2018-03-20 Berk HessFix gmx dump AWH formatting issue commit | commitdiff | tree | snapshot
2018-03-20 Mark AbrahamUpdate use of gpu_id in Jenkins commit | commitdiff | tree | snapshot
2018-03-20 Berk HessDisallow single simulation with multisim commit | commitdiff | tree | snapshot
2018-03-20 Mark AbrahamUpdate use of gpu_id in Jenkins commit | commitdiff | tree | snapshot
2018-03-20 Aleksei IupinovClarify the mdrun GPU options docs commit | commitdiff | tree | snapshot
2018-03-19 Mark AbrahamFix VSX SIMD with gcc 8 commit | commitdiff | tree | snapshot
2018-03-16 Berk HessCorrect PMF sign error in AWH bias sharing commit | commitdiff | tree | snapshot
2018-03-16 Berk HessFix recent mdrun signaling bug commit | commitdiff | tree | snapshot
2018-03-15 Berk HessFix virial with external pull potential and MPI commit | commitdiff | tree | snapshot
2018-03-14 Berk HessImprove inter-simulation signaling commit | commitdiff | tree | snapshot
2018-03-14 Berk HessFix mdrun signalling with AWH bias sharing commit | commitdiff | tree | snapshot
2018-03-14 Berk HessFix COM pulling with external potential with #ranks>32 commit | commitdiff | tree | snapshot
2018-03-14 Berk HessFix pull bug with geometry=direction-periodic commit | commitdiff | tree | snapshot
2018-03-13 Berk HessAdd AWH fixes to release notes commit | commitdiff | tree | snapshot
2018-03-13 Berk HessFix AWH ensemble checkpointing commit | commitdiff | tree | snapshot
2018-03-13 Berk HessFix AWH deconvolution when sharing a bias commit | commitdiff | tree | snapshot
2018-03-13 Szilárd PállFix clang 6.0 with CUDA 9.0 commit | commitdiff | tree | snapshot
2018-03-12 Mark AbrahamTest gcc-6 and cuda-9.0 commit | commitdiff | tree | snapshot
2018-03-09 Berk HessCorrect pdb2gmx -missing option commit | commitdiff | tree | snapshot
2018-03-06 Szilárd PállExtend "Finding out how to run mdrun better" section commit | commitdiff | tree | snapshot
2018-03-06 Mark AbrahamFixed dvdlambda for SHAKE + FE commit | commitdiff | tree | snapshot
2018-03-06 Berk HessMake multi-atom TPI reproducible commit | commitdiff | tree | snapshot
2018-03-05 Viveca LindahlAdd checks for non-null log file pointer in AWH commit | commitdiff | tree | snapshot
2018-03-05 Berk HessWork around gcc bug with group kernel tables commit | commitdiff | tree | snapshot
2018-03-05 Szilárd PállAdd to the contributor section commit | commitdiff | tree | snapshot
2018-03-02 Berk HessFix AWH bias-sharing with parallel simulation commit | commitdiff | tree | snapshot
2018-03-01 Berk HessDetect AMD SMT topology commit | commitdiff | tree | snapshot
2018-03-01 Berk HessFix mdrun multisim with separate PME ranks commit | commitdiff | tree | snapshot
2018-02-27 Mark AbrahamFix GPU utils test commit | commitdiff | tree | snapshot
2018-02-26 Mark AbrahamPermit define .mdp field to assign values commit | commitdiff | tree | snapshot
2018-02-26 Mark AbrahamOrganize for recording 2016-era release notes and add... commit | commitdiff | tree | snapshot
2018-02-23 Berk HessFix md integrator with Nose-Hoover coupling commit | commitdiff | tree | snapshot
2018-02-21 Szilárd PállSwitch pre-submit CUDA 8.0 test to 9.0 commit | commitdiff | tree | snapshot
2018-02-20 Szilárd PállAvoid aborting mdrun when GPU sanity check detects... commit | commitdiff | tree | snapshot
2018-02-16 Mark AbrahamMerge branch release-2016 into release-2018 commit | commitdiff | tree | snapshot
2018-02-16 Mark AbrahamBumped patch version for next release commit | commitdiff | tree | snapshot
2018-02-16 Berk HessCorrect multisim MPI barrier commit | commitdiff | tree | snapshot
2018-02-16 Aleksei IupinovFix PME for large systems with Fermi GPUs commit | commitdiff | tree | snapshot
2018-02-16 Mark AbrahamVersion 2016.5 commit | commitdiff | tree | snapshot
2018-02-15 Aleksei IupinovAdd the missing comma in the quote commit | commitdiff | tree | snapshot
2018-02-14 Mark AbrahamMerge branch release-2016 into release-2018 commit | commitdiff | tree | snapshot
2018-02-14 Berk HessFix range bug in add_selection_groups in tngio.cpp commit | commitdiff | tree | snapshot
2018-02-14 Mark AbrahamFix bug in checkpoint error checking commit | commitdiff | tree | snapshot
2018-02-14 Berk HessFix grompp net charge check commit | commitdiff | tree | snapshot
2018-02-14 Berk HessFix grompp net charge check commit | commitdiff | tree | snapshot
2018-02-14 Mark AbrahamPrepare release notes for 2018.1 commit | commitdiff | tree | snapshot
2018-02-13 Mark AbrahamUse death test only when supported 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 Berk HessAllow bonds with distance=0 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 Berk HessFix assertion failure in TPI commit | commitdiff | tree | snapshot
2018-01-24 Mark AbrahamMove Windows icc config to post-submit testing commit | commitdiff | tree | snapshot
2018-01-19 Roland SchulzAVX512 GCC 5.3 work-around commit | commitdiff | tree | snapshot
2018-01-18 Roland SchulzRemove incorrect release-note entry commit | commitdiff | tree | snapshot
2018-01-18 Berk HessFix COMM removal on part of the system 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 HessRe-enable GPU with walls and 1 energy group commit | commitdiff | tree | snapshot
2018-01-16 Berk HessRemove tumbling ice-cube warning with SD 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 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
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