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Fixes recently introduced bug in gmx analyze.
[alexxy/gromacs.git] / src /
2014-11-28 David van der SpoelFixes recently introduced bug in gmx analyze. tree | commitdiff
2014-11-27 Mark AbrahamConvert remaining callers of do_force to C++ tree | commitdiff
2014-11-27 Teemu MurtolaClean up gmx solvate tree | commitdiff
2014-11-27 Teemu MurtolaPort gmx-solvate tests to use CommandLineTestBase tree | commitdiff
2014-11-27 Mark AbrahamMerge "Merge release-5-0 into master" tree | commitdiff
2014-11-27 Teemu MurtolaMore control over file backups tree | commitdiff
2014-11-27 Teemu MurtolaFurther insert-molecules cleanup tree | commitdiff
2014-11-26 Christoph JunghansMerge release-5-0 into master tree | commitdiff
2014-11-26 Teemu MurtolaConvert surface area calculation to C++ tree | commitdiff
2014-11-26 Teemu MurtolaAdd some unit tests for surface area calculation tree | commitdiff
2014-11-26 Mark AbrahamFix trjconv modifying fr.time unnecessarily tree | commitdiff
2014-11-26 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-11-26 Mark AbrahamMove code to domdec module folder tree | commitdiff
2014-11-25 Berk HessFixed twin-range + freeze + constraints tree | commitdiff
2014-11-24 Berk HessAvoid NaN in rlist buffer calculation tree | commitdiff
2014-11-24 Magnus LundborgWhen writing TNG the input must contain molecule data. tree | commitdiff
2014-11-23 Roland SchulzSet GMX_SIMD to MIC for Xeon Phi tree | commitdiff
2014-11-17 Szilárd PállAllow increasing CUDA thread block size tree | commitdiff
2014-11-14 Teemu MurtolaRefactor position-evaluated selection keyword handling tree | commitdiff
2014-11-14 Szilárd PállStart nvprof profiling at counter reset tree | commitdiff
2014-11-12 Roland SchulzUse stat to check that paths are equivalent tree | commitdiff
2014-11-12 Berk HessCorrected parameter for sorting on search grid tree | commitdiff
2014-11-12 Berk HessFix DD bonded interaction range print tree | commitdiff
2014-11-12 Roland SchulzAdd bitmask type tree | commitdiff
2014-11-12 Carsten KutznerUpdated some .mdp file variables to use "-" instead... tree | commitdiff
2014-11-05 Roland SchulzMinor update of boost README tree | commitdiff
2014-10-30 Teemu MurtolaAdd more selection unit tests tree | commitdiff
2014-10-30 Teemu MurtolaFix more memory leaks in default group creation tree | commitdiff
2014-10-30 Teemu MurtolaFix memory leak in default index group creation tree | commitdiff
2014-10-30 Roland SchulzMerge "Merge release-5-0 into master" tree | commitdiff
2014-10-29 Teemu MurtolaMerge release-5-0 into master tree | commitdiff
2014-10-29 Teemu MurtolaImprove analysis nbsearch grid mapping tree | commitdiff
2014-10-28 Teemu MurtolaAvoid common.h inclusion in CUDA code tree | commitdiff
2014-10-26 Roland SchulzAdd Windows support for host-/username tree | commitdiff
2014-10-23 Teemu MurtolaMove truncate() wrapper to futil.h tree | commitdiff
2014-10-23 Teemu MurtolaEncapsulate use of nice() tree | commitdiff
2014-10-22 Teemu MurtolaCollect more platform-specific code to sysinfo.h tree | commitdiff
2014-10-22 Teemu MurtolaRename common.h to classhelpers.h tree | commitdiff
2014-10-22 Teemu MurtolaMove basic macros from common.h to basedefinitions.h tree | commitdiff
2014-10-22 Roland SchulzRemove Catamount cmake tree | commitdiff
2014-10-21 Roland SchulzFix C++11 flags for MingW tree | commitdiff
2014-10-20 Roland SchulzCreate scoped_cptr to replace scoped_ptr_sfree tree | commitdiff
2014-10-20 Roland SchulzUsed IWYU to partially clean up some includes tree | commitdiff
2014-10-20 Berk HessRemoved f_novirsum reduction in Verlet scheme tree | commitdiff
2014-10-20 Carsten KutznerFix order of ED/swap blocks during checkpoint reading. tree | commitdiff
2014-10-17 Mark AbrahamExtend gmock to turn off socket listener tree | commitdiff
2014-10-17 Mark AbrahamMove code to what will become the ewald module tree | commitdiff
2014-10-15 Mark AbrahamConverted many integrator-loop files to C++ tree | commitdiff
2014-10-14 David van der SpoelReorganizing analysis of correlation functions. tree | commitdiff
2014-10-14 Teemu MurtolaUse analysis nbsearch in insert-molecules tree | commitdiff
2014-10-13 Mark AbrahamMerge release-4-6 into release-5-0 tree | commitdiff
2014-10-12 Roland SchulzFix misidentification of dot in path name tree | commitdiff
2014-10-11 Teemu MurtolaClean up gmx insert-molecules tree | commitdiff
2014-10-11 Teemu MurtolaMake 'gmx insert-molecules' tests test output tree | commitdiff
2014-10-11 Teemu MurtolaGeneralize command-line unit testing machinery tree | commitdiff
2014-10-09 Mark AbrahamFixed minor issue with NPT conserved energy tree | commitdiff
2014-10-09 Mark AbrahamClean up cshake() and resolve old issues tree | commitdiff
2014-10-07 Berk HessFixes issue with vsiten and Verlet buffers tree | commitdiff
2014-10-06 Mark AbrahamFix trjconv -split not closing files tree | commitdiff
2014-10-05 Roland SchulzAllow runAsMainSingleModule to be called more than... tree | commitdiff
2014-10-03 Mark AbrahamMove pair-interaction code into listed-forces module tree | commitdiff
2014-10-03 Teemu MurtolaMore robust handling for installed headers tree | commitdiff
2014-10-03 Mark AbrahamUnite code for handling listed pairs tree | commitdiff
2014-10-01 Mark AbrahamMerge release-5-0 into master tree | commitdiff
2014-10-01 Carsten KutznerAllow gmx tune_pme to skip the check for command-line... tree | commitdiff
2014-09-30 Erik LindahlAdd Power8 VSX SIMD support tree | commitdiff
2014-09-30 Szilard PallFix incorrect LJ cut-off with GPU + PME tuning tree | commitdiff
2014-09-30 Berk HessAvoid DLB with overloaded PME ranks tree | commitdiff
2014-09-30 Berk HessAdded GPU local wait to load balancing tree | commitdiff
2014-09-30 Erik LindahlAvoid using function calls in OpenMP directives tree | commitdiff
2014-09-29 Berk HessDomain decomposition now checks the rlist buffer tree | commitdiff
2014-09-29 Berk HessSIMD acceleration for RB dihedrals tree | commitdiff
2014-09-29 Mark AbrahamMerge "Merge release-4-6 into release-5-0" into release-5-0 tree | commitdiff
2014-09-29 Berk HessAvoid PME tuning decreasing rcoulomb tree | commitdiff
2014-09-29 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-09-29 Berk HessFix calc_grid avoiding PME grid factor 84 tree | commitdiff
2014-09-26 Rossen ApostolovConverted swap module to C++. tree | commitdiff
2014-09-26 Szilárd PállFix incorrect assertion statement tree | commitdiff
2014-09-23 Mark AbrahamRenamed bonded module as 'listed-forces' tree | commitdiff
2014-09-23 Mark AbrahamRefactor mdrun integration tests tree | commitdiff
2014-09-23 Roland SchulzFix ICC warnings tree | commitdiff
2014-09-23 David van der SpoelFixes potential bug in neighborsearching. tree | commitdiff
2014-09-23 Teemu MurtolaReorganize CPack management tree | commitdiff
2014-09-23 Teemu MurtolaGenerate man pages and completions by default if possible tree | commitdiff
2014-09-22 Teemu MurtolaMerge "Merge release-5-0 into master" tree | commitdiff
2014-09-22 Roland SchulzFix message about incorrect usage of dihedral type 9 tree | commitdiff
2014-09-21 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-09-21 Teemu MurtolaSkip man/html/completion generation if not needed tree | commitdiff
2014-09-20 Teemu MurtolaFix patterns for .gitattributes tree | commitdiff
2014-09-20 Roland SchulzMinor performance improments tree | commitdiff
2014-09-19 Teemu MurtolaProper dependencies for Doxygen build rules tree | commitdiff
2014-09-19 Teemu MurtolaFix histogram resampling output bin positions tree | commitdiff
2014-09-19 Teemu MurtolaAdd support for cumulative histograms tree | commitdiff
2014-09-19 Teemu MurtolaMore precise analysisdata histogram accumulation tree | commitdiff
2014-09-18 Erik LindahlAdd Power/PowerPC VMX SIMD support tree | commitdiff
2014-09-18 Mark AbrahamMerge branch release-4-6 into release-5-0 tree | commitdiff
2014-09-18 Roland SchulzFix double linkage for tests tree | commitdiff
2014-09-17 Roland SchulzFix shared libs for Mingw tree | commitdiff
2014-09-17 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-09-17 David van der SpoelMerge release-5-0 into master tree | commitdiff
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