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Remove unused thole polarization rfac parameter
[alexxy/gromacs.git] / src / gromacs / math /
2021-10-18 Andrey AlekseenkoMerge release-2021 into master tree | commitdiff
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-08-19 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-08-03 Mark AbrahamUpdate bundled GoogleTest to current HEAD tree | commitdiff
2021-06-29 Paul BauerMerge branch release-2021 into master tree | commitdiff
2021-06-29 Andrey AlekseenkoRevert "Enable back floating-point exceptions for SYCL... tree | commitdiff
2021-06-23 Andrey AlekseenkoEnable back floating-point exceptions for SYCL build tree | commitdiff
2021-05-15 Paul BauerUse InheritParentConfig: true in clang-tidy files tree | commitdiff
2021-05-11 Mark AbrahamApply clang-format-11 tree | commitdiff
2021-05-07 Paul BauerMerge branch release-2021 into merge-2021-into-master tree | commitdiff
2021-05-05 Paul BauerApply misc clang-tidy-11 fixes tree | commitdiff
2021-03-23 Berk HessAdd comparison operator to BasicVector tree | commitdiff
2021-03-23 ejjordanForward declare ArrayRef more and inlcude basedefinitio... tree | commitdiff
2021-03-15 Paul BauerMove M_PI definition to math/units.h tree | commitdiff
2021-03-08 ejjordanRemove includes from math/utilities that are not needed... tree | commitdiff
2021-03-05 Paul BauerRemove physical constant enums tree | commitdiff
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-02-22 Joe JordanHold unique_ptr to gmx_ewald_tab_t in forcerec tree | commitdiff
2021-02-12 Andrey AlekseenkoAdd gmx::isPowerOfTwo function tree | commitdiff
2021-02-12 Mark AbrahamMerge branch release-2021 into master tree | commitdiff
2021-02-08 Andrey AlekseenkoDisable FPE for SYCL builds tree | commitdiff
2021-01-29 Mark AbrahamRemove PrivateImplPointer in favour of std::unique_ptr tree | commitdiff
2021-01-29 Mark AbrahamMerge branch release-2021 tree | commitdiff
2021-01-20 Mark AbrahamFix PaddedVector move constructor tree | commitdiff
2021-01-09 Andrey Alekseenkodensityfit: Fix typo in use of iterators tree | commitdiff
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2020-12-18 Mark AbrahamMerge branch release-2021 tree | commitdiff
2020-12-16 M. Eric IrrgangApply re-formatting to C++ in src/ tree. tree | commitdiff
2020-12-09 Mark AbrahamFix compilation and tests with icc 19.1.2 tree | commitdiff
2020-11-24 Paul BauerMerge branch 'origin/release-2021' into merge-2021... tree | commitdiff
2020-11-24 Paul BauerMerge branch 'origin/release-2020' into merge-2020... tree | commitdiff
2020-11-20 M. Eric IrrgangCreate CMake targets for each of the modules. tree | commitdiff
2020-11-05 Paul BauerMerge branch 'origin/release-2021' into merge-2021... tree | commitdiff
2020-11-04 M. Eric IrrgangEstablish `api/` as the home for installed headers. tree | commitdiff
2020-10-21 Andrey AlekseenkoRevert "densityfit: Fix inconsistent use of iterators" tree | commitdiff
2020-10-21 Andrey Alekseenkodensityfit: Fix inconsistent use of iterators tree | commitdiff
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release... tree | commitdiff
2020-10-19 Andrey AlekseenkoFix random doxygen warnings and typos tree | commitdiff
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release... tree | commitdiff
2020-09-22 Christian BlauNelder-Mead downhill simplex optimisation tree | commitdiff
2020-09-10 Joe JordanReplace GMX_ASSERT with assert in vectypes.h tree | commitdiff
2020-09-07 Christian BlauFix clang-format failure in coordinatetransformation.h tree | commitdiff
2020-09-07 Christian BlauImplement affine coordinate transformation tree | commitdiff
2020-08-31 Paul BauerMerge branch 'release-2020' into master tree | commitdiff
2020-08-13 Christian BlauRemove superfluous math utility functions tree | commitdiff
2020-07-29 Artem ZhmurovRevert c++-17 features that are not supported by CUDA... tree | commitdiff
2020-07-15 Alexey ShvetsovAllow to compile template with gmx-lagacyapi enabled tree | commitdiff
2020-07-06 Roland SchulzModernize STL usage tree | commitdiff
2020-07-02 Christian BlauCoordinate transformation on single RVecs tree | commitdiff
2020-05-19 Paul BauerRemove unnecessary includes of arrayref.h tree | commitdiff
2020-05-12 Berk HessExtract helper force buffers to a separate class tree | commitdiff
2020-05-06 Paul BauerMerge branch 'origin/release-2020' into master tree | commitdiff
2020-04-30 M. Eric IrrgangUpdate header sorting. tree | commitdiff
2020-04-27 Mark AbrahamImproved some logic in do_force tree | commitdiff
2020-04-08 Mark AbrahamFixes for clang-tidy-9 tree | commitdiff
2020-04-07 Mark AbrahamReplace EnumOption with EnumerationArrayOption tree | commitdiff
2020-04-03 M. Eric IrrgangPrune change-management.rst and update links. tree | commitdiff
2020-03-06 Mark AbrahamSimplify compiling GPU code for tests tree | commitdiff
2020-03-04 Paul BauerMerge branch release-2020 into master tree | commitdiff
2020-02-28 Paul BauerMerge branch release-2019 into release-2020 tree | commitdiff
2020-02-05 Pascal MerzTest PaddedVector to ArrayRef conversion tree | commitdiff
2020-01-28 Paul BauerMerge branch origin/release-2020 into master tree | commitdiff
2020-01-09 Mark AbrahamSplit lines with many copyright years tree | commitdiff
2020-01-08 Roland SchulzMerge release-2019 into release-2020 tree | commitdiff
2019-12-27 Paul BauerMerge origin/release-2019 into release-2020 tree | commitdiff
2019-12-12 Mark AbrahamMerge "Merge branch 'origin/release-2020' into master" tree | commitdiff
2019-12-12 Paul BauerMerge branch 'origin/release-2020' into master tree | commitdiff
2019-12-05 Christian BlauRelax cross-correlation test precision tree | commitdiff
2019-12-02 Christian BlauRelax test tolerance for cross correlation measure... tree | commitdiff
2019-11-29 Mark AbrahamMerge branch release-2019 into release-2020 tree | commitdiff
2019-11-21 Mark AbrahamMerge branch release-2020 tree | commitdiff
2019-11-20 Paul BauerMerge 'origin/release-2019' into release-2020 tree | commitdiff
2019-11-13 Erik LindahlUpdated physical constants to CODATA 2018 tree | commitdiff
2019-11-07 Paul BauerApply clang-format to source tree tree | commitdiff
2019-11-01 Christian BlauFix cross-correlation calculation instability tree | commitdiff
2019-10-29 Paul BauerMerge branch 'release-2019' into master tree | commitdiff
2019-10-18 Christian BlauAdaptive force scaling for densityfitting tree | commitdiff
2019-10-16 Christian BlauExponential moving average tree | commitdiff
2019-09-25 Szilárd PállMerge remote-tracking branch 'origin/release-2019' tree | commitdiff
2019-09-24 Paul BauerMerge branch release-2019 into master tree | commitdiff
2019-09-22 Christian BlauAdd cross-correlation as density simlarity measure tree | commitdiff
2019-09-09 Christian BlauRelative entropy as density similarity measure tree | commitdiff
2019-08-27 Christian BlauAdd density fitting parameters tree | commitdiff
2019-08-27 Christian BlauAccess to GaussTransform3D data tree | commitdiff
2019-08-26 Paul BauerRemove installed headers from CMake tree | commitdiff
2019-08-23 Mark AbrahamUpdate clang-tidy to clang version 8 tree | commitdiff
2019-08-22 Mark AbrahamMerge branch release-2019 tree | commitdiff
2019-08-20 Mark AbrahamApply clang-tidy-8 readability-uppercase-literal-suffix tree | commitdiff
2019-08-19 Mark AbrahamModernize t_matrix, t_mapping, t_rgb tree | commitdiff
2019-08-09 Paul BauerAdd conversion from legacy to modern matrix type tree | commitdiff
2019-08-08 Christian BlauHarmonize mrc density format extents with rest of code. tree | commitdiff
2019-08-05 Paul BauerAdd free function to convert matrix type tree | commitdiff
2019-08-01 Mark AbrahamManage compiler flags and some include options per... tree | commitdiff
2019-08-01 Paul BauerMerge release-2019 into master tree | commitdiff
2019-07-25 Kevin BoydAdd transpose operation to Matrix3x3 tree | commitdiff
2019-07-24 Christian BlauFix HTML source documenation error caused by GaussTrans... tree | commitdiff
2019-07-23 Kevin BoydModernize syntax of enable_if and traits to use _t... tree | commitdiff
2019-07-11 Kevin BoydUse const views in matrix determinant calculation tree | commitdiff
2019-07-11 Kevin BoydAdd trace functionality to 3x3 matrices tree | commitdiff
2019-07-10 Kevin BoydAdd implicit conversion of mdspan-containing types... tree | commitdiff
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