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Remove documentation references to optimize-fft
[alexxy/gromacs.git] / src / gromacs /
2014-09-11 Erik LindahlEnable static anon namespace workaround on pathscale tree | commitdiff
2014-09-09 Berk HessFixed DD state collection issue tree | commitdiff
2014-09-08 Berk HessCheck for implicit solvent + Verlet scheme tree | commitdiff
2014-09-05 Roland SchulzFix build for external boost 1.56.0 tree | commitdiff
2014-09-04 Erik LindahlK-computer specific modifications tree | commitdiff
2014-09-03 Roland SchulzFix MingW build tree | commitdiff
2014-09-03 Erik LindahlFixed sc_power==48 crash in single precision tree | commitdiff
2014-09-03 Mark AbrahamFix mis-use of fabs in LAPACK tree | commitdiff
2014-09-03 Roland SchulzFix that TNG tests were not run tree | commitdiff
2014-09-03 Erik LindahlFixed preprocessor error for AVX_128_FMA simd tree | commitdiff
2014-09-02 Erik LindahlFix formatting of fatal errors in g_bar tree | commitdiff
2014-09-02 Roland SchulzFix PRINT_ALLOC_KB output tree | commitdiff
2014-09-02 Magnus LundborgTNG Fix for GMX_DOUBLE builds and where ZLIB is not... tree | commitdiff
2014-09-01 Justin LemkulUpdated x-axis label for g_wham. tree | commitdiff
2014-09-01 Magnus LundborgWhen writing TNG include file closing in wallcycle. tree | commitdiff
2014-09-01 Mark AbrahamMerge "Merge branch release-4-6 into release-5-0" into... tree | commitdiff
2014-09-01 Mark AbrahamFixes and updates to BlueGene/Q support tree | commitdiff
2014-09-01 Mark AbrahamMerge branch release-4-6 into release-5-0 tree | commitdiff
2014-09-01 Mark AbrahamMerge "Merge branch release-4-6 into release-5-0" into... tree | commitdiff
2014-08-31 Erik LindahlAdded negative zero preprocessor constants tree | commitdiff
2014-08-29 Mark AbrahamMerge branch release-4-6 into release-5-0 tree | commitdiff
2014-08-24 Berk HessInitialize unused velocity constraint components tree | commitdiff
2014-08-22 Mark AbrahamFix zlib usage with TNG tree | commitdiff
2014-08-20 Roland SchulzChange error to warning for missing OMP_NUM_THREADS tree | commitdiff
2014-08-20 Erik LindahlFix matrix pointer dereference bug in update.c tree | commitdiff
2014-08-20 Erik LindahlEnable SIMD register calling convention with gmx_simdcall tree | commitdiff
2014-08-20 Erik LindahlAdd cycle counters for 64-bit ARM tree | commitdiff
2014-08-17 Erik LindahlFix Portland compiler warnings tree | commitdiff
2014-08-17 Berk HessHalved the cost of the pull communication tree | commitdiff
2014-08-17 Roland SchulzDon't build tests until they are run tree | commitdiff
2014-08-16 Mark AbrahamFix gmx tune_pme with LJ-PME tree | commitdiff
2014-08-16 Mark AbrahamFix wallcycle counting with md-vv, sd and sd2 tree | commitdiff
2014-08-16 Teemu MurtolaDisable analysisdata generic tests if not compilable tree | commitdiff
2014-08-14 Berk HessCorrected SIMD math overflow documentation tree | commitdiff
2014-08-10 Erik LindahlImprove Gromacs portability tree | commitdiff
2014-08-10 Berk HessAdded checks for TPI + Verlet scheme tree | commitdiff
2014-08-10 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-08-07 Erik LindahlFix portability issue with ArrayRef initializer overloading tree | commitdiff
2014-08-05 Berk HessFix hang with LJ-PME and empty domains tree | commitdiff
2014-08-05 Roland SchulzWorkaround for ICC 14 tree | commitdiff
2014-08-01 Erik LindahlAdded tests for denormal and underflow for simd exp() tree | commitdiff
2014-07-31 Berk HessAvoid division by 0 in nbnxn_search tree | commitdiff
2014-07-28 Christian WennbergFix overflow in LJ-PME nbnxn kernels tree | commitdiff
2014-07-28 Roland SchulzAdd unit test for random/Threefry tree | commitdiff
2014-07-27 Erik LindahlFix selection of xtc groups not starting at index 0 tree | commitdiff
2014-07-25 Roland SchulzWorkaround for ICC 14 bug tree | commitdiff
2014-07-21 Roland SchulzFix GMX_NONBONDED_NUM_THREADS!=GMX_PAIRSEARCH_NUM_THREADS tree | commitdiff
2014-07-16 Teemu MurtolaFix HTML help and man pages for commands with dashes tree | commitdiff
2014-07-11 Teemu MurtolaFix HTML links that contain file extensions tree | commitdiff
2014-07-09 Roland SchulzFix Cygwin build tree | commitdiff
2014-07-08 Erik LindahlMake IEEE754 check more robust tree | commitdiff
2014-07-08 Teemu MurtolaMake selections ignore \r in input tree | commitdiff
2014-07-05 Teemu MurtolaReinstantiate unsorted index group check tree | commitdiff
2014-07-01 Teemu MurtolaAdjust include directory order for some corner cases tree | commitdiff
2014-06-29 Berk HessTake LJ-PME into account for table spacing tree | commitdiff
2014-06-29 Erik LindahlFixed free energy with LJ-PME tree | commitdiff
2014-06-29 Mark AbrahamMerge "Merge release-4-6 into release-5-0" into release-5-0 tree | commitdiff
2014-06-29 Teemu MurtolaRemove some hardcoded selection string buffers tree | commitdiff
2014-06-29 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-06-29 Erik LindahlEnable rtp angle/dihedral entries not connected by... tree | commitdiff
2014-06-29 Michael ShirtsAllow printing potential energies to dhdl.xvg file tree | commitdiff
2014-06-28 Mark AbrahamMerge branch 'release-4-6' into release-5-0 tree | commitdiff
2014-06-28 Erik LindahlFixed CMAP generation for alanine dipeptide special... tree | commitdiff
2014-06-28 Magnus LundborgUpdate TNG build system tree | commitdiff
2014-06-28 Mark AbrahamUse parallel terminology more consistently tree | commitdiff
2014-06-28 ngogaDefault SD integrator is now sd1 by Nicu Goga tree | commitdiff
2014-06-28 Teemu MurtolaRemove overeager selection index group check tree | commitdiff
2014-06-27 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-06-27 Erik LindahlAlways set b-state posres, even if identical to a-state tree | commitdiff
2014-06-27 Erik LindahlUpdate g_density to handle bilayers better tree | commitdiff
2014-06-27 Erik LindahlFix LJPME Lorentz-Berthelot combination rules tree | commitdiff
2014-06-27 Rossen ApostolovChanged linking order to make Extrae work. tree | commitdiff
2014-06-27 Erik LindahlImprove PDB I/O (keep occupancy, b-factor, element) tree | commitdiff
2014-06-27 Erik LindahlAvoid warnings about coupling when free_energy=no tree | commitdiff
2014-06-26 Mark AbrahamMerge "Merge release-4-6 into release-5-0" into release-5-0 tree | commitdiff
2014-06-26 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-06-24 Magnus LundborgImproved check to decide if to add chain/residue. tree | commitdiff
2014-06-24 Erik LindahlMake sure duplicates bondeds are set from hackblocks tree | commitdiff
2014-06-24 Erik LindahlClean up CMAP placement in parameter list tree | commitdiff
2014-06-23 Erik LindahlEnable terminus-specific atom translation tree | commitdiff
2014-06-23 Erik LindahlEnable 4-letter resname in PDB output, keeps more pdbinfo. tree | commitdiff
2014-06-23 Erik LindahlEnable xvgr output and labels for g_principal tree | commitdiff
2014-06-23 Erik LindahlDisallow extracting V/F from XTC files in g_traj tree | commitdiff
2014-06-23 Erik LindahlWarn if using nsteps=0 without continuation=yes tree | commitdiff
2014-06-22 Erik LindahlMake log file option listing similar to mdp names tree | commitdiff
2014-06-21 Erik LindahlMake sure masses are copied from termini databases tree | commitdiff
2014-06-20 Rossen ApostolovRemoved unused parameters and cleanup of inputrec. tree | commitdiff
2014-06-18 Mark AbrahamMade mdrun warn when generic kernels are used tree | commitdiff
2014-06-13 Roland SchulzMake nbnxn template and generated files match tree | commitdiff
2014-06-12 Rossen ApostolovCleanup environment variables. tree | commitdiff
2014-06-12 Erik LindahlRemoved undocumented -map and -mdata options from g_sham. tree | commitdiff
2014-06-12 Erik LindahlAlways write output from genion tree | commitdiff
2014-06-10 Berk HessReplaced gmx_hostname_num by gmx_physicalnode_id_hash tree | commitdiff
2014-06-09 Berk HessSet make_ndx max name length and count to 1024 tree | commitdiff
2014-06-09 Erik LindahlFixed the output format of g_principal tree | commitdiff
2014-06-09 Erik LindahlModify single/double EPS to agree with ISO C tree | commitdiff
2014-06-06 Mark AbrahamMerge release-4-6 into release-5-0 tree | commitdiff
2014-06-03 Mark AbrahamUse RNG correctly for v-rescale thermostat tree | commitdiff
2014-06-02 Erik LindahlAdded grompp checks for zero atom masses in state B tree | commitdiff
2014-05-31 Magnus LundborgFix bug writing TNG output from dump. tree | commitdiff
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