hillclimber 0.1.5a8__cp314-cp314-macosx_15_0_x86_64.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- hillclimber/__init__.py +39 -0
- hillclimber/actions.py +53 -0
- hillclimber/analysis.py +590 -0
- hillclimber/biases.py +293 -0
- hillclimber/calc.py +22 -0
- hillclimber/cvs.py +1065 -0
- hillclimber/interfaces.py +133 -0
- hillclimber/metadynamics.py +325 -0
- hillclimber/nodes.py +6 -0
- hillclimber/opes.py +359 -0
- hillclimber/selectors.py +230 -0
- hillclimber/virtual_atoms.py +341 -0
- hillclimber-0.1.5a8.dist-info/METADATA +209 -0
- hillclimber-0.1.5a8.dist-info/RECORD +469 -0
- hillclimber-0.1.5a8.dist-info/WHEEL +6 -0
- hillclimber-0.1.5a8.dist-info/entry_points.txt +8 -0
- hillclimber-0.1.5a8.dist-info/licenses/LICENSE +165 -0
- plumed/__init__.py +104 -0
- plumed/_lib/bin/plumed +0 -0
- plumed/_lib/bin/plumed-config +9 -0
- plumed/_lib/bin/plumed-patch +9 -0
- plumed/_lib/include/plumed/adjmat/AdjacencyMatrixBase.h +659 -0
- plumed/_lib/include/plumed/adjmat/ContactMatrix.h +59 -0
- plumed/_lib/include/plumed/asmjit/arch.h +228 -0
- plumed/_lib/include/plumed/asmjit/arm.h +43 -0
- plumed/_lib/include/plumed/asmjit/asmjit.h +69 -0
- plumed/_lib/include/plumed/asmjit/asmjit_apibegin.h +143 -0
- plumed/_lib/include/plumed/asmjit/asmjit_apiend.h +93 -0
- plumed/_lib/include/plumed/asmjit/asmjit_build.h +971 -0
- plumed/_lib/include/plumed/asmjit/assembler.h +183 -0
- plumed/_lib/include/plumed/asmjit/base.h +56 -0
- plumed/_lib/include/plumed/asmjit/codebuilder.h +944 -0
- plumed/_lib/include/plumed/asmjit/codecompiler.h +767 -0
- plumed/_lib/include/plumed/asmjit/codeemitter.h +528 -0
- plumed/_lib/include/plumed/asmjit/codeholder.h +777 -0
- plumed/_lib/include/plumed/asmjit/constpool.h +286 -0
- plumed/_lib/include/plumed/asmjit/cpuinfo.h +402 -0
- plumed/_lib/include/plumed/asmjit/func.h +1327 -0
- plumed/_lib/include/plumed/asmjit/globals.h +370 -0
- plumed/_lib/include/plumed/asmjit/inst.h +137 -0
- plumed/_lib/include/plumed/asmjit/logging.h +317 -0
- plumed/_lib/include/plumed/asmjit/misc_p.h +103 -0
- plumed/_lib/include/plumed/asmjit/moved_string.h +318 -0
- plumed/_lib/include/plumed/asmjit/operand.h +1599 -0
- plumed/_lib/include/plumed/asmjit/osutils.h +207 -0
- plumed/_lib/include/plumed/asmjit/regalloc_p.h +597 -0
- plumed/_lib/include/plumed/asmjit/runtime.h +227 -0
- plumed/_lib/include/plumed/asmjit/simdtypes.h +1104 -0
- plumed/_lib/include/plumed/asmjit/utils.h +1387 -0
- plumed/_lib/include/plumed/asmjit/vmem.h +183 -0
- plumed/_lib/include/plumed/asmjit/x86.h +45 -0
- plumed/_lib/include/plumed/asmjit/x86assembler.h +125 -0
- plumed/_lib/include/plumed/asmjit/x86builder.h +117 -0
- plumed/_lib/include/plumed/asmjit/x86compiler.h +322 -0
- plumed/_lib/include/plumed/asmjit/x86emitter.h +5149 -0
- plumed/_lib/include/plumed/asmjit/x86globals.h +535 -0
- plumed/_lib/include/plumed/asmjit/x86inst.h +2547 -0
- plumed/_lib/include/plumed/asmjit/x86instimpl_p.h +74 -0
- plumed/_lib/include/plumed/asmjit/x86internal_p.h +108 -0
- plumed/_lib/include/plumed/asmjit/x86logging_p.h +92 -0
- plumed/_lib/include/plumed/asmjit/x86misc.h +417 -0
- plumed/_lib/include/plumed/asmjit/x86operand.h +1133 -0
- plumed/_lib/include/plumed/asmjit/x86regalloc_p.h +734 -0
- plumed/_lib/include/plumed/asmjit/zone.h +1157 -0
- plumed/_lib/include/plumed/bias/Bias.h +82 -0
- plumed/_lib/include/plumed/bias/ReweightBase.h +58 -0
- plumed/_lib/include/plumed/blas/blas.h +253 -0
- plumed/_lib/include/plumed/blas/def_external.h +61 -0
- plumed/_lib/include/plumed/blas/def_internal.h +97 -0
- plumed/_lib/include/plumed/blas/real.h +49 -0
- plumed/_lib/include/plumed/cltools/CLTool.h +32 -0
- plumed/_lib/include/plumed/clusters/ClusteringBase.h +70 -0
- plumed/_lib/include/plumed/colvar/Colvar.h +32 -0
- plumed/_lib/include/plumed/colvar/ColvarInput.h +68 -0
- plumed/_lib/include/plumed/colvar/ColvarShortcut.h +81 -0
- plumed/_lib/include/plumed/colvar/CoordinationBase.h +52 -0
- plumed/_lib/include/plumed/colvar/MultiColvarTemplate.h +333 -0
- plumed/_lib/include/plumed/colvar/PathMSDBase.h +101 -0
- plumed/_lib/include/plumed/colvar/RMSDVector.h +78 -0
- plumed/_lib/include/plumed/config/Config.h +118 -0
- plumed/_lib/include/plumed/config/version.h +9 -0
- plumed/_lib/include/plumed/contour/ContourFindingObject.h +87 -0
- plumed/_lib/include/plumed/contour/DistanceFromContourBase.h +82 -0
- plumed/_lib/include/plumed/contour/FindContour.h +67 -0
- plumed/_lib/include/plumed/core/Action.h +540 -0
- plumed/_lib/include/plumed/core/ActionAnyorder.h +48 -0
- plumed/_lib/include/plumed/core/ActionAtomistic.h +343 -0
- plumed/_lib/include/plumed/core/ActionForInterface.h +99 -0
- plumed/_lib/include/plumed/core/ActionPilot.h +57 -0
- plumed/_lib/include/plumed/core/ActionRegister.h +124 -0
- plumed/_lib/include/plumed/core/ActionSet.h +163 -0
- plumed/_lib/include/plumed/core/ActionSetup.h +48 -0
- plumed/_lib/include/plumed/core/ActionShortcut.h +73 -0
- plumed/_lib/include/plumed/core/ActionToGetData.h +59 -0
- plumed/_lib/include/plumed/core/ActionToPutData.h +101 -0
- plumed/_lib/include/plumed/core/ActionWithArguments.h +140 -0
- plumed/_lib/include/plumed/core/ActionWithMatrix.h +87 -0
- plumed/_lib/include/plumed/core/ActionWithValue.h +258 -0
- plumed/_lib/include/plumed/core/ActionWithVector.h +94 -0
- plumed/_lib/include/plumed/core/ActionWithVirtualAtom.h +123 -0
- plumed/_lib/include/plumed/core/CLTool.h +177 -0
- plumed/_lib/include/plumed/core/CLToolMain.h +102 -0
- plumed/_lib/include/plumed/core/CLToolRegister.h +108 -0
- plumed/_lib/include/plumed/core/Colvar.h +115 -0
- plumed/_lib/include/plumed/core/DataPassingObject.h +94 -0
- plumed/_lib/include/plumed/core/DataPassingTools.h +54 -0
- plumed/_lib/include/plumed/core/DomainDecomposition.h +120 -0
- plumed/_lib/include/plumed/core/ExchangePatterns.h +47 -0
- plumed/_lib/include/plumed/core/FlexibleBin.h +63 -0
- plumed/_lib/include/plumed/core/GREX.h +61 -0
- plumed/_lib/include/plumed/core/GenericMolInfo.h +89 -0
- plumed/_lib/include/plumed/core/Group.h +41 -0
- plumed/_lib/include/plumed/core/ModuleMap.h +30 -0
- plumed/_lib/include/plumed/core/ParallelTaskManager.h +1023 -0
- plumed/_lib/include/plumed/core/PbcAction.h +61 -0
- plumed/_lib/include/plumed/core/PlumedMain.h +632 -0
- plumed/_lib/include/plumed/core/PlumedMainInitializer.h +118 -0
- plumed/_lib/include/plumed/core/RegisterBase.h +340 -0
- plumed/_lib/include/plumed/core/TargetDist.h +48 -0
- plumed/_lib/include/plumed/core/Value.h +547 -0
- plumed/_lib/include/plumed/core/WithCmd.h +93 -0
- plumed/_lib/include/plumed/dimred/SMACOF.h +55 -0
- plumed/_lib/include/plumed/drr/DRR.h +383 -0
- plumed/_lib/include/plumed/drr/colvar_UIestimator.h +777 -0
- plumed/_lib/include/plumed/fisst/legendre_rule_fast.h +44 -0
- plumed/_lib/include/plumed/function/Custom.h +54 -0
- plumed/_lib/include/plumed/function/Function.h +85 -0
- plumed/_lib/include/plumed/function/FunctionOfMatrix.h +368 -0
- plumed/_lib/include/plumed/function/FunctionOfScalar.h +135 -0
- plumed/_lib/include/plumed/function/FunctionOfVector.h +296 -0
- plumed/_lib/include/plumed/function/FunctionSetup.h +180 -0
- plumed/_lib/include/plumed/function/FunctionShortcut.h +130 -0
- plumed/_lib/include/plumed/function/FunctionWithSingleArgument.h +165 -0
- plumed/_lib/include/plumed/gridtools/ActionWithGrid.h +43 -0
- plumed/_lib/include/plumed/gridtools/EvaluateGridFunction.h +99 -0
- plumed/_lib/include/plumed/gridtools/FunctionOfGrid.h +295 -0
- plumed/_lib/include/plumed/gridtools/GridCoordinatesObject.h +179 -0
- plumed/_lib/include/plumed/gridtools/GridSearch.h +135 -0
- plumed/_lib/include/plumed/gridtools/Interpolator.h +45 -0
- plumed/_lib/include/plumed/gridtools/KDE.h +455 -0
- plumed/_lib/include/plumed/gridtools/RDF.h +40 -0
- plumed/_lib/include/plumed/gridtools/SumOfKernels.h +219 -0
- plumed/_lib/include/plumed/isdb/MetainferenceBase.h +398 -0
- plumed/_lib/include/plumed/lapack/def_external.h +207 -0
- plumed/_lib/include/plumed/lapack/def_internal.h +388 -0
- plumed/_lib/include/plumed/lapack/lapack.h +899 -0
- plumed/_lib/include/plumed/lapack/lapack_limits.h +79 -0
- plumed/_lib/include/plumed/lapack/real.h +50 -0
- plumed/_lib/include/plumed/lepton/CompiledExpression.h +164 -0
- plumed/_lib/include/plumed/lepton/CustomFunction.h +143 -0
- plumed/_lib/include/plumed/lepton/Exception.h +93 -0
- plumed/_lib/include/plumed/lepton/ExpressionProgram.h +137 -0
- plumed/_lib/include/plumed/lepton/ExpressionTreeNode.h +145 -0
- plumed/_lib/include/plumed/lepton/Lepton.h +85 -0
- plumed/_lib/include/plumed/lepton/MSVC_erfc.h +123 -0
- plumed/_lib/include/plumed/lepton/Operation.h +1302 -0
- plumed/_lib/include/plumed/lepton/ParsedExpression.h +165 -0
- plumed/_lib/include/plumed/lepton/Parser.h +111 -0
- plumed/_lib/include/plumed/lepton/windowsIncludes.h +73 -0
- plumed/_lib/include/plumed/mapping/Path.h +44 -0
- plumed/_lib/include/plumed/mapping/PathProjectionCalculator.h +57 -0
- plumed/_lib/include/plumed/matrixtools/MatrixOperationBase.h +54 -0
- plumed/_lib/include/plumed/matrixtools/MatrixTimesMatrix.h +309 -0
- plumed/_lib/include/plumed/matrixtools/MatrixTimesVectorBase.h +365 -0
- plumed/_lib/include/plumed/matrixtools/OuterProduct.h +238 -0
- plumed/_lib/include/plumed/maze/Core.h +65 -0
- plumed/_lib/include/plumed/maze/Loss.h +86 -0
- plumed/_lib/include/plumed/maze/Member.h +66 -0
- plumed/_lib/include/plumed/maze/Memetic.h +799 -0
- plumed/_lib/include/plumed/maze/Optimizer.h +357 -0
- plumed/_lib/include/plumed/maze/Random_MT.h +156 -0
- plumed/_lib/include/plumed/maze/Tools.h +183 -0
- plumed/_lib/include/plumed/metatomic/vesin.h +188 -0
- plumed/_lib/include/plumed/molfile/Gromacs.h +2013 -0
- plumed/_lib/include/plumed/molfile/endianswap.h +217 -0
- plumed/_lib/include/plumed/molfile/fastio.h +683 -0
- plumed/_lib/include/plumed/molfile/largefiles.h +78 -0
- plumed/_lib/include/plumed/molfile/libmolfile_plugin.h +77 -0
- plumed/_lib/include/plumed/molfile/molfile_plugin.h +1034 -0
- plumed/_lib/include/plumed/molfile/periodic_table.h +248 -0
- plumed/_lib/include/plumed/molfile/readpdb.h +447 -0
- plumed/_lib/include/plumed/molfile/vmdplugin.h +236 -0
- plumed/_lib/include/plumed/multicolvar/MultiColvarShortcuts.h +45 -0
- plumed/_lib/include/plumed/opes/ExpansionCVs.h +79 -0
- plumed/_lib/include/plumed/sasa/Sasa.h +32 -0
- plumed/_lib/include/plumed/secondarystructure/SecondaryStructureBase.h +372 -0
- plumed/_lib/include/plumed/setup/ActionSetup.h +25 -0
- plumed/_lib/include/plumed/small_vector/small_vector.h +6114 -0
- plumed/_lib/include/plumed/symfunc/CoordinationNumbers.h +41 -0
- plumed/_lib/include/plumed/tools/Angle.h +52 -0
- plumed/_lib/include/plumed/tools/AtomDistribution.h +138 -0
- plumed/_lib/include/plumed/tools/AtomNumber.h +152 -0
- plumed/_lib/include/plumed/tools/BiasRepresentation.h +106 -0
- plumed/_lib/include/plumed/tools/BitmaskEnum.h +167 -0
- plumed/_lib/include/plumed/tools/Brent1DRootSearch.h +159 -0
- plumed/_lib/include/plumed/tools/CheckInRange.h +44 -0
- plumed/_lib/include/plumed/tools/Citations.h +74 -0
- plumed/_lib/include/plumed/tools/ColvarOutput.h +118 -0
- plumed/_lib/include/plumed/tools/Communicator.h +316 -0
- plumed/_lib/include/plumed/tools/ConjugateGradient.h +80 -0
- plumed/_lib/include/plumed/tools/DLLoader.h +79 -0
- plumed/_lib/include/plumed/tools/ERMSD.h +73 -0
- plumed/_lib/include/plumed/tools/Exception.h +406 -0
- plumed/_lib/include/plumed/tools/File.h +28 -0
- plumed/_lib/include/plumed/tools/FileBase.h +153 -0
- plumed/_lib/include/plumed/tools/FileTools.h +37 -0
- plumed/_lib/include/plumed/tools/ForwardDecl.h +54 -0
- plumed/_lib/include/plumed/tools/Grid.h +638 -0
- plumed/_lib/include/plumed/tools/HistogramBead.h +136 -0
- plumed/_lib/include/plumed/tools/IFile.h +117 -0
- plumed/_lib/include/plumed/tools/KernelFunctions.h +113 -0
- plumed/_lib/include/plumed/tools/Keywords.h +380 -0
- plumed/_lib/include/plumed/tools/LatticeReduction.h +66 -0
- plumed/_lib/include/plumed/tools/LeptonCall.h +64 -0
- plumed/_lib/include/plumed/tools/LinkCells.h +126 -0
- plumed/_lib/include/plumed/tools/Log.h +41 -0
- plumed/_lib/include/plumed/tools/LoopUnroller.h +163 -0
- plumed/_lib/include/plumed/tools/Matrix.h +721 -0
- plumed/_lib/include/plumed/tools/MatrixSquareBracketsAccess.h +138 -0
- plumed/_lib/include/plumed/tools/MergeVectorTools.h +153 -0
- plumed/_lib/include/plumed/tools/Minimise1DBrent.h +244 -0
- plumed/_lib/include/plumed/tools/MinimiseBase.h +120 -0
- plumed/_lib/include/plumed/tools/MolDataClass.h +51 -0
- plumed/_lib/include/plumed/tools/NeighborList.h +112 -0
- plumed/_lib/include/plumed/tools/OFile.h +286 -0
- plumed/_lib/include/plumed/tools/OpenACC.h +180 -0
- plumed/_lib/include/plumed/tools/OpenMP.h +75 -0
- plumed/_lib/include/plumed/tools/PDB.h +154 -0
- plumed/_lib/include/plumed/tools/Pbc.h +139 -0
- plumed/_lib/include/plumed/tools/PlumedHandle.h +105 -0
- plumed/_lib/include/plumed/tools/RMSD.h +493 -0
- plumed/_lib/include/plumed/tools/Random.h +80 -0
- plumed/_lib/include/plumed/tools/RootFindingBase.h +79 -0
- plumed/_lib/include/plumed/tools/Stopwatch.h +475 -0
- plumed/_lib/include/plumed/tools/Subprocess.h +142 -0
- plumed/_lib/include/plumed/tools/SwitchingFunction.h +208 -0
- plumed/_lib/include/plumed/tools/Tensor.h +724 -0
- plumed/_lib/include/plumed/tools/TokenizedLine.h +123 -0
- plumed/_lib/include/plumed/tools/Tools.h +638 -0
- plumed/_lib/include/plumed/tools/Torsion.h +55 -0
- plumed/_lib/include/plumed/tools/TrajectoryParser.h +118 -0
- plumed/_lib/include/plumed/tools/Tree.h +61 -0
- plumed/_lib/include/plumed/tools/TypesafePtr.h +463 -0
- plumed/_lib/include/plumed/tools/Units.h +167 -0
- plumed/_lib/include/plumed/tools/Vector.h +433 -0
- plumed/_lib/include/plumed/tools/View.h +296 -0
- plumed/_lib/include/plumed/tools/View2D.h +100 -0
- plumed/_lib/include/plumed/tools/h36.h +39 -0
- plumed/_lib/include/plumed/vatom/ActionWithVirtualAtom.h +32 -0
- plumed/_lib/include/plumed/ves/BasisFunctions.h +380 -0
- plumed/_lib/include/plumed/ves/CoeffsBase.h +310 -0
- plumed/_lib/include/plumed/ves/CoeffsMatrix.h +220 -0
- plumed/_lib/include/plumed/ves/CoeffsVector.h +251 -0
- plumed/_lib/include/plumed/ves/FermiSwitchingFunction.h +74 -0
- plumed/_lib/include/plumed/ves/GridIntegrationWeights.h +50 -0
- plumed/_lib/include/plumed/ves/GridLinearInterpolation.h +81 -0
- plumed/_lib/include/plumed/ves/GridProjWeights.h +61 -0
- plumed/_lib/include/plumed/ves/LinearBasisSetExpansion.h +303 -0
- plumed/_lib/include/plumed/ves/Optimizer.h +444 -0
- plumed/_lib/include/plumed/ves/TargetDistModifer.h +53 -0
- plumed/_lib/include/plumed/ves/TargetDistribution.h +266 -0
- plumed/_lib/include/plumed/ves/VesBias.h +545 -0
- plumed/_lib/include/plumed/ves/VesTools.h +142 -0
- plumed/_lib/include/plumed/ves/WaveletGrid.h +75 -0
- plumed/_lib/include/plumed/volumes/ActionVolume.h +268 -0
- plumed/_lib/include/plumed/volumes/VolumeShortcut.h +147 -0
- plumed/_lib/include/plumed/wrapper/Plumed.h +5025 -0
- plumed/_lib/include/plumed/xdrfile/xdrfile.h +663 -0
- plumed/_lib/include/plumed/xdrfile/xdrfile_trr.h +89 -0
- plumed/_lib/include/plumed/xdrfile/xdrfile_xtc.h +90 -0
- plumed/_lib/lib/PythonCVInterface.dylib +0 -0
- plumed/_lib/lib/libplumed.dylib +0 -0
- plumed/_lib/lib/libplumedKernel.dylib +0 -0
- plumed/_lib/lib/libplumedWrapper.a +0 -0
- plumed/_lib/lib/pkgconfig/plumed.pc +13 -0
- plumed/_lib/lib/pkgconfig/plumedInternals.pc +13 -0
- plumed/_lib/lib/pkgconfig/plumedWrapper.pc +13 -0
- plumed/_lib/lib/plumed/fortran/plumed.f90 +879 -0
- plumed/_lib/lib/plumed/fortran/plumed_f08.f90 +2625 -0
- plumed/_lib/lib/plumed/modulefile +69 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.config +43 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/CMakeLists.txt +543 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/CMakeLists.txt.preplumed +540 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdlib/expanded.cpp +1628 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdlib/expanded.cpp.preplumed +1590 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdlib/expanded.h +103 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdlib/expanded.h.preplumed +99 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdlib/sim_util.cpp +2527 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdlib/sim_util.cpp.preplumed +2513 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/legacymdrunoptions.cpp +208 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/legacymdrunoptions.cpp.preplumed +175 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/legacymdrunoptions.h +408 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/legacymdrunoptions.h.preplumed +394 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/md.cpp +2348 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/md.cpp.preplumed +2091 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/minimize.cpp +3573 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/minimize.cpp.preplumed +3495 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/replicaexchange.cpp +1506 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/replicaexchange.cpp.preplumed +1402 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/replicaexchange.h +114 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/replicaexchange.h.preplumed +106 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/rerun.cpp +997 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/rerun.cpp.preplumed +906 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/runner.cpp +2780 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/runner.cpp.preplumed +2738 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/modularsimulator/expandedensembleelement.cpp +224 -0
- plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/modularsimulator/expandedensembleelement.cpp.preplumed +222 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.config +43 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/CMakeLists.txt +549 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/CMakeLists.txt.preplumed +546 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdlib/expanded.cpp +1632 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdlib/expanded.cpp.preplumed +1594 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdlib/expanded.h +104 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdlib/expanded.h.preplumed +100 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdlib/sim_util.cpp +2624 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdlib/sim_util.cpp.preplumed +2610 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdrun/legacymdrunoptions.cpp +208 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdrun/legacymdrunoptions.cpp.preplumed +175 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdrun/legacymdrunoptions.h +409 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdrun/legacymdrunoptions.h.preplumed +395 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdrun/md.cpp +2419 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdrun/md.cpp.preplumed +2164 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdrun/minimize.cpp +3546 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdrun/minimize.cpp.preplumed +3468 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdrun/replicaexchange.cpp +1513 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdrun/replicaexchange.cpp.preplumed +1409 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdrun/replicaexchange.h +114 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdrun/replicaexchange.h.preplumed +106 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdrun/rerun.cpp +991 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdrun/rerun.cpp.preplumed +900 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdrun/runner.cpp +2895 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/mdrun/runner.cpp.preplumed +2849 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/modularsimulator/expandedensembleelement.cpp +224 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/modularsimulator/expandedensembleelement.cpp.preplumed +222 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/taskassignment/decidegpuusage.cpp +886 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/taskassignment/decidegpuusage.cpp.preplumed +880 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/taskassignment/include/gromacs/taskassignment/decidegpuusage.h +347 -0
- plumed/_lib/lib/plumed/patches/gromacs-2023.5.diff/src/gromacs/taskassignment/include/gromacs/taskassignment/decidegpuusage.h.preplumed +345 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.config +43 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/CMakeLists.txt +575 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/CMakeLists.txt.preplumed +572 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdlib/expanded.cpp +1632 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdlib/expanded.cpp.preplumed +1594 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdlib/expanded.h +104 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdlib/expanded.h.preplumed +100 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdlib/sim_util.cpp +2564 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdlib/sim_util.cpp.preplumed +2550 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/legacymdrunoptions.cpp +208 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/legacymdrunoptions.cpp.preplumed +175 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/legacymdrunoptions.h +410 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/legacymdrunoptions.h.preplumed +396 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/md.cpp +2435 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/md.cpp.preplumed +2187 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/minimize.cpp +3592 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/minimize.cpp.preplumed +3514 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/replicaexchange.cpp +1513 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/replicaexchange.cpp.preplumed +1409 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/replicaexchange.h +114 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/replicaexchange.h.preplumed +106 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/rerun.cpp +958 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/rerun.cpp.preplumed +929 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/runner.cpp +2987 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/runner.cpp.preplumed +2941 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/modularsimulator/expandedensembleelement.cpp +224 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/modularsimulator/expandedensembleelement.cpp.preplumed +222 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/taskassignment/decidegpuusage.cpp +904 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/taskassignment/decidegpuusage.cpp.preplumed +898 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/taskassignment/include/gromacs/taskassignment/decidegpuusage.h +353 -0
- plumed/_lib/lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/taskassignment/include/gromacs/taskassignment/decidegpuusage.h.preplumed +351 -0
- plumed/_lib/lib/plumed/patches/gromacs-2025.0.config +39 -0
- plumed/_lib/lib/plumed/patches/gromacs-2025.0.diff/cmake/gmxManagePlumed.cmake +82 -0
- plumed/_lib/lib/plumed/patches/gromacs-2025.0.diff/cmake/gmxManagePlumed.cmake.preplumed +82 -0
- plumed/_lib/lib/plumed/patches/gromacs-2025.0.diff/src/gromacs/applied_forces/plumed/plumedMDModule.cpp +162 -0
- plumed/_lib/lib/plumed/patches/gromacs-2025.0.diff/src/gromacs/applied_forces/plumed/plumedMDModule.cpp.preplumed +154 -0
- plumed/_lib/lib/plumed/patches/gromacs-2025.0.diff/src/gromacs/applied_forces/plumed/plumedOptions.cpp +107 -0
- plumed/_lib/lib/plumed/patches/gromacs-2025.0.diff/src/gromacs/applied_forces/plumed/plumedOptions.cpp.preplumed +99 -0
- plumed/_lib/lib/plumed/patches/gromacs-2025.0.diff/src/gromacs/applied_forces/plumed/plumedOptions.h +120 -0
- plumed/_lib/lib/plumed/patches/gromacs-2025.0.diff/src/gromacs/applied_forces/plumed/plumedOptions.h.preplumed +111 -0
- plumed/_lib/lib/plumed/patches/gromacs-2025.0.diff/src/gromacs/applied_forces/plumed/plumedforceprovider.cpp +215 -0
- plumed/_lib/lib/plumed/patches/gromacs-2025.0.diff/src/gromacs/applied_forces/plumed/plumedforceprovider.cpp.preplumed +197 -0
- plumed/_lib/lib/plumed/patches/gromacs-2025.0.diff/src/gromacs/applied_forces/plumed/plumedforceprovider.h +87 -0
- plumed/_lib/lib/plumed/patches/gromacs-2025.0.diff/src/gromacs/applied_forces/plumed/plumedforceprovider.h.preplumed +86 -0
- plumed/_lib/lib/plumed/patches/gromacs-2025.0.diff/src/gromacs/mdrun/runner.cpp +2971 -0
- plumed/_lib/lib/plumed/patches/gromacs-2025.0.diff/src/gromacs/mdrun/runner.cpp.preplumed +2970 -0
- plumed/_lib/lib/plumed/patches/gromacs-2025.0.diff/src/gromacs/mdrunutility/mdmodulesnotifiers.h +430 -0
- plumed/_lib/lib/plumed/patches/gromacs-2025.0.diff/src/gromacs/mdrunutility/mdmodulesnotifiers.h.preplumed +429 -0
- plumed/_lib/lib/plumed/patches/namd-2.12.config +30 -0
- plumed/_lib/lib/plumed/patches/namd-2.12.diff +267 -0
- plumed/_lib/lib/plumed/patches/namd-2.13.config +30 -0
- plumed/_lib/lib/plumed/patches/namd-2.13.diff +267 -0
- plumed/_lib/lib/plumed/patches/namd-2.14.config +30 -0
- plumed/_lib/lib/plumed/patches/namd-2.14.diff +268 -0
- plumed/_lib/lib/plumed/patches/patch.sh +500 -0
- plumed/_lib/lib/plumed/patches/qespresso-5.0.2.config +25 -0
- plumed/_lib/lib/plumed/patches/qespresso-5.0.2.diff/PW/src/forces.f90 +368 -0
- plumed/_lib/lib/plumed/patches/qespresso-5.0.2.diff/PW/src/forces.f90.preplumed +366 -0
- plumed/_lib/lib/plumed/patches/qespresso-5.0.2.diff/PW/src/plugin_forces.f90 +71 -0
- plumed/_lib/lib/plumed/patches/qespresso-5.0.2.diff/PW/src/plugin_forces.f90.preplumed +24 -0
- plumed/_lib/lib/plumed/patches/qespresso-5.0.2.diff/PW/src/plugin_initialization.f90 +62 -0
- plumed/_lib/lib/plumed/patches/qespresso-5.0.2.diff/PW/src/plugin_initialization.f90.preplumed +21 -0
- plumed/_lib/lib/plumed/patches/qespresso-5.0.2.diff/PW/src/pwscf.f90 +189 -0
- plumed/_lib/lib/plumed/patches/qespresso-5.0.2.diff/PW/src/pwscf.f90.preplumed +185 -0
- plumed/_lib/lib/plumed/patches/qespresso-6.2.config +26 -0
- plumed/_lib/lib/plumed/patches/qespresso-6.2.diff/PW/src/forces.f90 +422 -0
- plumed/_lib/lib/plumed/patches/qespresso-6.2.diff/PW/src/forces.f90.preplumed +420 -0
- plumed/_lib/lib/plumed/patches/qespresso-6.2.diff/PW/src/plugin_ext_forces.f90 +70 -0
- plumed/_lib/lib/plumed/patches/qespresso-6.2.diff/PW/src/plugin_ext_forces.f90.preplumed +23 -0
- plumed/_lib/lib/plumed/patches/qespresso-6.2.diff/PW/src/plugin_initialization.f90 +62 -0
- plumed/_lib/lib/plumed/patches/qespresso-6.2.diff/PW/src/plugin_initialization.f90.preplumed +21 -0
- plumed/_lib/lib/plumed/patches/qespresso-6.2.diff/PW/src/run_pwscf.f90 +233 -0
- plumed/_lib/lib/plumed/patches/qespresso-6.2.diff/PW/src/run_pwscf.f90.preplumed +230 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.0.config +28 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.0.diff/Modules/Makefile +175 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.0.diff/Modules/Makefile.preplumed +171 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.0.diff/PW/src/forces.f90 +486 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.0.diff/PW/src/forces.f90.preplumed +484 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.0.diff/PW/src/plugin_ext_forces.f90 +74 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.0.diff/PW/src/plugin_ext_forces.f90.preplumed +23 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.0.diff/PW/src/plugin_initialization.f90 +64 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.0.diff/PW/src/plugin_initialization.f90.preplumed +21 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.0.diff/PW/src/run_pwscf.f90 +532 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.0.diff/PW/src/run_pwscf.f90.preplumed +518 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.2.config +28 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.2.diff/Modules/Makefile +249 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.2.diff/Modules/Makefile.preplumed +244 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.2.diff/PW/src/forces.f90 +532 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.2.diff/PW/src/forces.f90.preplumed +535 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.2.diff/PW/src/plugin_ext_forces.f90 +74 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.2.diff/PW/src/plugin_ext_forces.f90.preplumed +23 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.2.diff/PW/src/plugin_initialization.f90 +64 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.2.diff/PW/src/plugin_initialization.f90.preplumed +21 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.2.diff/PW/src/run_pwscf.f90 +569 -0
- plumed/_lib/lib/plumed/patches/qespresso-7.2.diff/PW/src/run_pwscf.f90.preplumed +560 -0
- plumed/_lib/lib/plumed/plumed-config +9 -0
- plumed/_lib/lib/plumed/plumed-mklib +9 -0
- plumed/_lib/lib/plumed/plumed-newcv +9 -0
- plumed/_lib/lib/plumed/plumed-partial_tempering +9 -0
- plumed/_lib/lib/plumed/plumed-patch +9 -0
- plumed/_lib/lib/plumed/plumed-runtime +0 -0
- plumed/_lib/lib/plumed/plumed-selector +9 -0
- plumed/_lib/lib/plumed/plumed-vim2html +9 -0
- plumed/_lib/lib/plumed/scripts/config.sh +126 -0
- plumed/_lib/lib/plumed/scripts/mklib.sh +175 -0
- plumed/_lib/lib/plumed/scripts/newcv.sh +26 -0
- plumed/_lib/lib/plumed/scripts/partial_tempering.sh +319 -0
- plumed/_lib/lib/plumed/scripts/patch.sh +4 -0
- plumed/_lib/lib/plumed/scripts/selector.sh +234 -0
- plumed/_lib/lib/plumed/scripts/vim2html.sh +190 -0
- plumed/_lib/lib/plumed/src/colvar/Template.cpp +116 -0
- plumed/_lib/lib/plumed/src/config/compile_options.sh +3 -0
- plumed/_lib/lib/plumed/src/config/config.txt +181 -0
- plumed/_lib/lib/plumed/src/lib/Plumed.cmake +6 -0
- plumed/_lib/lib/plumed/src/lib/Plumed.cmake.runtime +5 -0
- plumed/_lib/lib/plumed/src/lib/Plumed.cmake.shared +5 -0
- plumed/_lib/lib/plumed/src/lib/Plumed.cmake.static +3 -0
- plumed/_lib/lib/plumed/src/lib/Plumed.inc +6 -0
- plumed/_lib/lib/plumed/src/lib/Plumed.inc.runtime +5 -0
- plumed/_lib/lib/plumed/src/lib/Plumed.inc.shared +5 -0
- plumed/_lib/lib/plumed/src/lib/Plumed.inc.static +3 -0
- plumed/_lib/lib/plumed/vim/scripts.vim +6 -0
- plumed/_plumed_core.cpython-311-darwin.so +0 -0
- plumed/_plumed_core.cpython-312-darwin.so +0 -0
- plumed/_plumed_core.cpython-313-darwin.so +0 -0
- plumed/_plumed_core.cpython-314-darwin.so +0 -0
- plumedCommunications.cpython-311-darwin.so +0 -0
- plumedCommunications.cpython-312-darwin.so +0 -0
- plumedCommunications.cpython-313-darwin.so +0 -0
- plumedCommunications.cpython-314-darwin.so +0 -0
- plumedCommunications.pyi +431 -0
|
@@ -0,0 +1,317 @@
|
|
|
1
|
+
/* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
|
2
|
+
Copyright (c) 2008-2017, Petr Kobalicek
|
|
3
|
+
|
|
4
|
+
This software is provided 'as-is', without any express or implied
|
|
5
|
+
warranty. In no event will the authors be held liable for any damages
|
|
6
|
+
arising from the use of this software.
|
|
7
|
+
|
|
8
|
+
Permission is granted to anyone to use this software for any purpose,
|
|
9
|
+
including commercial applications, and to alter it and redistribute it
|
|
10
|
+
freely, subject to the following restrictions:
|
|
11
|
+
|
|
12
|
+
1. The origin of this software must not be misrepresented; you must not
|
|
13
|
+
claim that you wrote the original software. If you use this software
|
|
14
|
+
in a product, an acknowledgment in the product documentation would be
|
|
15
|
+
appreciated but is not required.
|
|
16
|
+
2. Altered source versions must be plainly marked as such, and must not be
|
|
17
|
+
misrepresented as being the original software.
|
|
18
|
+
3. This notice may not be removed or altered from any source distribution.
|
|
19
|
+
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
|
|
20
|
+
#ifndef __PLUMED_asmjit_logging_h
|
|
21
|
+
#define __PLUMED_asmjit_logging_h
|
|
22
|
+
#ifdef __PLUMED_HAS_ASMJIT
|
|
23
|
+
#pragma GCC diagnostic push
|
|
24
|
+
#pragma GCC diagnostic ignored "-Wpedantic"
|
|
25
|
+
// [AsmJit]
|
|
26
|
+
// Complete x86/x64 JIT and Remote Assembler for C++.
|
|
27
|
+
//
|
|
28
|
+
// [License]
|
|
29
|
+
// Zlib - See LICENSE.md file in the package.
|
|
30
|
+
|
|
31
|
+
// [Guard]
|
|
32
|
+
#ifndef _ASMJIT_BASE_LOGGING_H
|
|
33
|
+
#define _ASMJIT_BASE_LOGGING_H
|
|
34
|
+
|
|
35
|
+
// [Dependencies]
|
|
36
|
+
#include "./inst.h"
|
|
37
|
+
#include "./moved_string.h"
|
|
38
|
+
|
|
39
|
+
// [Api-Begin]
|
|
40
|
+
#include "./asmjit_apibegin.h"
|
|
41
|
+
|
|
42
|
+
namespace PLMD {
|
|
43
|
+
namespace asmjit {
|
|
44
|
+
|
|
45
|
+
//! \addtogroup asmjit_base
|
|
46
|
+
//! \{
|
|
47
|
+
|
|
48
|
+
#if !defined(ASMJIT_DISABLE_LOGGING)
|
|
49
|
+
|
|
50
|
+
// ============================================================================
|
|
51
|
+
// [Forward Declarations]
|
|
52
|
+
// ============================================================================
|
|
53
|
+
|
|
54
|
+
class CodeEmitter;
|
|
55
|
+
class Reg;
|
|
56
|
+
struct Operand_;
|
|
57
|
+
|
|
58
|
+
#if !defined(ASMJIT_DISABLE_BUILDER)
|
|
59
|
+
class CodeBuilder;
|
|
60
|
+
class CBNode;
|
|
61
|
+
#endif // !ASMJIT_DISABLE_BUILDER
|
|
62
|
+
|
|
63
|
+
// ============================================================================
|
|
64
|
+
// [asmjit::Logger]
|
|
65
|
+
// ============================================================================
|
|
66
|
+
|
|
67
|
+
//! Abstract logging interface and helpers.
|
|
68
|
+
//!
|
|
69
|
+
//! This class can be inherited and reimplemented to fit into your logging
|
|
70
|
+
//! subsystem. When reimplementing use `Logger::_log()` method to log into
|
|
71
|
+
//! a custom stream.
|
|
72
|
+
//!
|
|
73
|
+
//! There are two \ref Logger implementations offered by AsmJit:
|
|
74
|
+
//! - \ref FileLogger - allows to log into a `FILE*` stream.
|
|
75
|
+
//! - \ref StringLogger - logs into a \ref StringBuilder.
|
|
76
|
+
class ASMJIT_VIRTAPI Logger {
|
|
77
|
+
public:
|
|
78
|
+
ASMJIT_NONCOPYABLE(Logger)
|
|
79
|
+
|
|
80
|
+
// --------------------------------------------------------------------------
|
|
81
|
+
// [Options]
|
|
82
|
+
// --------------------------------------------------------------------------
|
|
83
|
+
|
|
84
|
+
//! Logger options.
|
|
85
|
+
ASMJIT_ENUM(Options) {
|
|
86
|
+
kOptionBinaryForm = 0x00000001, //! Output instructions also in binary form.
|
|
87
|
+
kOptionImmExtended = 0x00000002, //! Output a meaning of some immediates.
|
|
88
|
+
kOptionHexImmediate = 0x00000004, //! Output constants in hexadecimal form.
|
|
89
|
+
kOptionHexDisplacement = 0x00000008 //! Output displacements in hexadecimal form.
|
|
90
|
+
};
|
|
91
|
+
|
|
92
|
+
// --------------------------------------------------------------------------
|
|
93
|
+
// [Construction / Destruction]
|
|
94
|
+
// --------------------------------------------------------------------------
|
|
95
|
+
|
|
96
|
+
//! Create a `Logger` instance.
|
|
97
|
+
ASMJIT_API Logger() noexcept;
|
|
98
|
+
//! Destroy the `Logger` instance.
|
|
99
|
+
ASMJIT_API virtual ~Logger() noexcept;
|
|
100
|
+
|
|
101
|
+
// --------------------------------------------------------------------------
|
|
102
|
+
// [Logging]
|
|
103
|
+
// --------------------------------------------------------------------------
|
|
104
|
+
|
|
105
|
+
//! Log `str` - must be reimplemented.
|
|
106
|
+
virtual Error _log(const char* str, size_t len) noexcept = 0;
|
|
107
|
+
|
|
108
|
+
//! Log a string `str`, which is either null terminated or having `len` length.
|
|
109
|
+
ASMJIT_INLINE Error log(const char* str, size_t len = Globals::kInvalidIndex) noexcept { return _log(str, len); }
|
|
110
|
+
//! Log a content of a `StringBuilder` `str`.
|
|
111
|
+
ASMJIT_INLINE Error log(const StringBuilder& str) noexcept { return _log(str.getData(), str.getLength()); }
|
|
112
|
+
|
|
113
|
+
//! Format the message by using `sprintf()` and then send to `log()`.
|
|
114
|
+
ASMJIT_API Error logf(const char* fmt, ...) noexcept;
|
|
115
|
+
//! Format the message by using `vsprintf()` and then send to `log()`.
|
|
116
|
+
ASMJIT_API Error logv(const char* fmt, va_list ap) noexcept;
|
|
117
|
+
//! Log binary data.
|
|
118
|
+
ASMJIT_API Error logBinary(const void* data, size_t size) noexcept;
|
|
119
|
+
|
|
120
|
+
// --------------------------------------------------------------------------
|
|
121
|
+
// [Options]
|
|
122
|
+
// --------------------------------------------------------------------------
|
|
123
|
+
|
|
124
|
+
//! Get all logger options as a single integer.
|
|
125
|
+
ASMJIT_INLINE uint32_t getOptions() const noexcept { return _options; }
|
|
126
|
+
//! Get the given logger option.
|
|
127
|
+
ASMJIT_INLINE bool hasOption(uint32_t option) const noexcept { return (_options & option) != 0; }
|
|
128
|
+
ASMJIT_INLINE void addOptions(uint32_t options) noexcept { _options |= options; }
|
|
129
|
+
ASMJIT_INLINE void clearOptions(uint32_t options) noexcept { _options &= ~options; }
|
|
130
|
+
|
|
131
|
+
// --------------------------------------------------------------------------
|
|
132
|
+
// [Indentation]
|
|
133
|
+
// --------------------------------------------------------------------------
|
|
134
|
+
|
|
135
|
+
//! Get indentation.
|
|
136
|
+
ASMJIT_INLINE const char* getIndentation() const noexcept { return _indentation; }
|
|
137
|
+
//! Set indentation.
|
|
138
|
+
ASMJIT_API void setIndentation(const char* indentation) noexcept;
|
|
139
|
+
//! Reset indentation.
|
|
140
|
+
ASMJIT_INLINE void resetIndentation() noexcept { setIndentation(nullptr); }
|
|
141
|
+
|
|
142
|
+
// --------------------------------------------------------------------------
|
|
143
|
+
// [Members]
|
|
144
|
+
// --------------------------------------------------------------------------
|
|
145
|
+
|
|
146
|
+
//! Options, see \ref LoggerOption.
|
|
147
|
+
uint32_t _options;
|
|
148
|
+
|
|
149
|
+
//! Indentation.
|
|
150
|
+
char _indentation[12];
|
|
151
|
+
};
|
|
152
|
+
|
|
153
|
+
// ============================================================================
|
|
154
|
+
// [asmjit::FileLogger]
|
|
155
|
+
// ============================================================================
|
|
156
|
+
|
|
157
|
+
//! Logger that can log to a `FILE*` stream.
|
|
158
|
+
class ASMJIT_VIRTAPI FileLogger : public Logger {
|
|
159
|
+
public:
|
|
160
|
+
ASMJIT_NONCOPYABLE(FileLogger)
|
|
161
|
+
|
|
162
|
+
// --------------------------------------------------------------------------
|
|
163
|
+
// [Construction / Destruction]
|
|
164
|
+
// --------------------------------------------------------------------------
|
|
165
|
+
|
|
166
|
+
//! Create a new `FileLogger` that logs to a `FILE` stream.
|
|
167
|
+
ASMJIT_API FileLogger(FILE* stream = nullptr) noexcept;
|
|
168
|
+
//! Destroy the `FileLogger`.
|
|
169
|
+
ASMJIT_API virtual ~FileLogger() noexcept;
|
|
170
|
+
|
|
171
|
+
// --------------------------------------------------------------------------
|
|
172
|
+
// [Accessors]
|
|
173
|
+
// --------------------------------------------------------------------------
|
|
174
|
+
|
|
175
|
+
//! Get the logging out put stream or null.
|
|
176
|
+
ASMJIT_INLINE FILE* getStream() const noexcept { return _stream; }
|
|
177
|
+
|
|
178
|
+
//! Set the logging output stream to `stream` or null.
|
|
179
|
+
//!
|
|
180
|
+
//! NOTE: If the `stream` is null it will disable logging, but it won't
|
|
181
|
+
//! stop calling `log()` unless the logger is detached from the
|
|
182
|
+
//! \ref Assembler.
|
|
183
|
+
ASMJIT_INLINE void setStream(FILE* stream) noexcept { _stream = stream; }
|
|
184
|
+
|
|
185
|
+
// --------------------------------------------------------------------------
|
|
186
|
+
// [Logging]
|
|
187
|
+
// --------------------------------------------------------------------------
|
|
188
|
+
|
|
189
|
+
ASMJIT_API Error _log(const char* buf, size_t len = Globals::kInvalidIndex) noexcept override;
|
|
190
|
+
|
|
191
|
+
// --------------------------------------------------------------------------
|
|
192
|
+
// [Members]
|
|
193
|
+
// --------------------------------------------------------------------------
|
|
194
|
+
|
|
195
|
+
//! C file stream.
|
|
196
|
+
FILE* _stream;
|
|
197
|
+
};
|
|
198
|
+
|
|
199
|
+
// ============================================================================
|
|
200
|
+
// [asmjit::StringLogger]
|
|
201
|
+
// ============================================================================
|
|
202
|
+
|
|
203
|
+
//! Logger that stores everything in an internal string buffer.
|
|
204
|
+
class ASMJIT_VIRTAPI StringLogger : public Logger {
|
|
205
|
+
public:
|
|
206
|
+
ASMJIT_NONCOPYABLE(StringLogger)
|
|
207
|
+
|
|
208
|
+
// --------------------------------------------------------------------------
|
|
209
|
+
// [Construction / Destruction]
|
|
210
|
+
// --------------------------------------------------------------------------
|
|
211
|
+
|
|
212
|
+
//! Create new `StringLogger`.
|
|
213
|
+
ASMJIT_API StringLogger() noexcept;
|
|
214
|
+
//! Destroy the `StringLogger`.
|
|
215
|
+
ASMJIT_API virtual ~StringLogger() noexcept;
|
|
216
|
+
|
|
217
|
+
// --------------------------------------------------------------------------
|
|
218
|
+
// [Accessors]
|
|
219
|
+
// --------------------------------------------------------------------------
|
|
220
|
+
|
|
221
|
+
//! Get `char*` pointer which represents the resulting string.
|
|
222
|
+
//!
|
|
223
|
+
//! The pointer is owned by `StringLogger`, it can't be modified or freed.
|
|
224
|
+
ASMJIT_INLINE const char* getString() const noexcept { return _stringBuilder.getData(); }
|
|
225
|
+
//! Clear the resulting string.
|
|
226
|
+
ASMJIT_INLINE void clearString() noexcept { _stringBuilder.clear(); }
|
|
227
|
+
|
|
228
|
+
//! Get the length of the string returned by `getString()`.
|
|
229
|
+
ASMJIT_INLINE size_t getLength() const noexcept { return _stringBuilder.getLength(); }
|
|
230
|
+
|
|
231
|
+
// --------------------------------------------------------------------------
|
|
232
|
+
// [Logging]
|
|
233
|
+
// --------------------------------------------------------------------------
|
|
234
|
+
|
|
235
|
+
ASMJIT_API Error _log(const char* buf, size_t len = Globals::kInvalidIndex) noexcept override;
|
|
236
|
+
|
|
237
|
+
// --------------------------------------------------------------------------
|
|
238
|
+
// [Members]
|
|
239
|
+
// --------------------------------------------------------------------------
|
|
240
|
+
|
|
241
|
+
//! Output string.
|
|
242
|
+
StringBuilder _stringBuilder;
|
|
243
|
+
};
|
|
244
|
+
|
|
245
|
+
// ============================================================================
|
|
246
|
+
// [asmjit::Logging]
|
|
247
|
+
// ============================================================================
|
|
248
|
+
|
|
249
|
+
struct Logging {
|
|
250
|
+
ASMJIT_API static Error formatRegister(
|
|
251
|
+
StringBuilder& sb,
|
|
252
|
+
uint32_t logOptions,
|
|
253
|
+
const CodeEmitter* emitter,
|
|
254
|
+
uint32_t archType,
|
|
255
|
+
uint32_t regType,
|
|
256
|
+
uint32_t regId) noexcept;
|
|
257
|
+
|
|
258
|
+
ASMJIT_API static Error formatLabel(
|
|
259
|
+
StringBuilder& sb,
|
|
260
|
+
uint32_t logOptions,
|
|
261
|
+
const CodeEmitter* emitter,
|
|
262
|
+
uint32_t labelId) noexcept;
|
|
263
|
+
|
|
264
|
+
ASMJIT_API static Error formatOperand(
|
|
265
|
+
StringBuilder& sb,
|
|
266
|
+
uint32_t logOptions,
|
|
267
|
+
const CodeEmitter* emitter,
|
|
268
|
+
uint32_t archType,
|
|
269
|
+
const Operand_& op) noexcept;
|
|
270
|
+
|
|
271
|
+
ASMJIT_API static Error formatInstruction(
|
|
272
|
+
StringBuilder& sb,
|
|
273
|
+
uint32_t logOptions,
|
|
274
|
+
const CodeEmitter* emitter,
|
|
275
|
+
uint32_t archType,
|
|
276
|
+
const Inst::Detail& detail, const Operand_* opArray, uint32_t opCount) noexcept;
|
|
277
|
+
|
|
278
|
+
#if !defined(ASMJIT_DISABLE_BUILDER)
|
|
279
|
+
ASMJIT_API static Error formatNode(
|
|
280
|
+
StringBuilder& sb,
|
|
281
|
+
uint32_t logOptions,
|
|
282
|
+
const CodeBuilder* cb,
|
|
283
|
+
const CBNode* node_) noexcept;
|
|
284
|
+
#endif // !ASMJIT_DISABLE_BUILDER
|
|
285
|
+
|
|
286
|
+
// Only used by AsmJit internals, not available to users.
|
|
287
|
+
#if defined(ASMJIT_EXPORTS)
|
|
288
|
+
enum {
|
|
289
|
+
// Has to be big to be able to hold all metadata compiler can assign to a
|
|
290
|
+
// single instruction.
|
|
291
|
+
kMaxCommentLength = 512,
|
|
292
|
+
kMaxInstLength = 40,
|
|
293
|
+
kMaxBinaryLength = 26
|
|
294
|
+
};
|
|
295
|
+
|
|
296
|
+
static Error formatLine(
|
|
297
|
+
StringBuilder& sb,
|
|
298
|
+
const uint8_t* binData, size_t binLen, size_t dispLen, size_t imLen, const char* comment) noexcept;
|
|
299
|
+
#endif // ASMJIT_EXPORTS
|
|
300
|
+
};
|
|
301
|
+
#else
|
|
302
|
+
class Logger;
|
|
303
|
+
#endif // !ASMJIT_DISABLE_LOGGING
|
|
304
|
+
|
|
305
|
+
//! \}
|
|
306
|
+
|
|
307
|
+
} // asmjit namespace
|
|
308
|
+
} // namespace PLMD
|
|
309
|
+
|
|
310
|
+
// [Api-End]
|
|
311
|
+
#include "./asmjit_apiend.h"
|
|
312
|
+
|
|
313
|
+
// [Guard]
|
|
314
|
+
#endif // _ASMJIT_BASE_LOGGER_H
|
|
315
|
+
#pragma GCC diagnostic pop
|
|
316
|
+
#endif // __PLUMED_HAS_ASMJIT
|
|
317
|
+
#endif
|
|
@@ -0,0 +1,103 @@
|
|
|
1
|
+
/* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
|
2
|
+
Copyright (c) 2008-2017, Petr Kobalicek
|
|
3
|
+
|
|
4
|
+
This software is provided 'as-is', without any express or implied
|
|
5
|
+
warranty. In no event will the authors be held liable for any damages
|
|
6
|
+
arising from the use of this software.
|
|
7
|
+
|
|
8
|
+
Permission is granted to anyone to use this software for any purpose,
|
|
9
|
+
including commercial applications, and to alter it and redistribute it
|
|
10
|
+
freely, subject to the following restrictions:
|
|
11
|
+
|
|
12
|
+
1. The origin of this software must not be misrepresented; you must not
|
|
13
|
+
claim that you wrote the original software. If you use this software
|
|
14
|
+
in a product, an acknowledgment in the product documentation would be
|
|
15
|
+
appreciated but is not required.
|
|
16
|
+
2. Altered source versions must be plainly marked as such, and must not be
|
|
17
|
+
misrepresented as being the original software.
|
|
18
|
+
3. This notice may not be removed or altered from any source distribution.
|
|
19
|
+
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
|
|
20
|
+
#ifndef __PLUMED_asmjit_misc_p_h
|
|
21
|
+
#define __PLUMED_asmjit_misc_p_h
|
|
22
|
+
#ifdef __PLUMED_HAS_ASMJIT
|
|
23
|
+
#pragma GCC diagnostic push
|
|
24
|
+
#pragma GCC diagnostic ignored "-Wpedantic"
|
|
25
|
+
// [AsmJit]
|
|
26
|
+
// Complete x86/x64 JIT and Remote Assembler for C++.
|
|
27
|
+
//
|
|
28
|
+
// [License]
|
|
29
|
+
// Zlib - See LICENSE.md file in the package.
|
|
30
|
+
|
|
31
|
+
// [Guard]
|
|
32
|
+
#ifndef _ASMJIT_BASE_MISC_P_H
|
|
33
|
+
#define _ASMJIT_BASE_MISC_P_H
|
|
34
|
+
|
|
35
|
+
// [Dependencies]
|
|
36
|
+
#include "./asmjit_build.h"
|
|
37
|
+
|
|
38
|
+
// [Api-Begin]
|
|
39
|
+
#include "./asmjit_apibegin.h"
|
|
40
|
+
|
|
41
|
+
namespace PLMD {
|
|
42
|
+
namespace asmjit {
|
|
43
|
+
|
|
44
|
+
//! \addtogroup asmjit_base
|
|
45
|
+
//! \{
|
|
46
|
+
|
|
47
|
+
//! \internal
|
|
48
|
+
//!
|
|
49
|
+
//! Macro used to populate a table with 16 elements starting at `I`.
|
|
50
|
+
#define ASMJIT_TABLE_16(DEF, I) DEF(I + 0), DEF(I + 1), DEF(I + 2), DEF(I + 3), \
|
|
51
|
+
DEF(I + 4), DEF(I + 5), DEF(I + 6), DEF(I + 7), \
|
|
52
|
+
DEF(I + 8), DEF(I + 9), DEF(I + 10), DEF(I + 11), \
|
|
53
|
+
DEF(I + 12), DEF(I + 13), DEF(I + 14), DEF(I + 15)
|
|
54
|
+
|
|
55
|
+
#define ASMJIT_TABLE_T_8(TABLE, VALUE, I) \
|
|
56
|
+
TABLE< I + 0 >::VALUE, TABLE< I + 1 >::VALUE, \
|
|
57
|
+
TABLE< I + 2 >::VALUE, TABLE< I + 3 >::VALUE, \
|
|
58
|
+
TABLE< I + 4 >::VALUE, TABLE< I + 5 >::VALUE, \
|
|
59
|
+
TABLE< I + 6 >::VALUE, TABLE< I + 7 >::VALUE
|
|
60
|
+
|
|
61
|
+
#define ASMJIT_TABLE_T_16(TABLE, VALUE, I) \
|
|
62
|
+
ASMJIT_TABLE_T_8(TABLE, VALUE, I), \
|
|
63
|
+
ASMJIT_TABLE_T_8(TABLE, VALUE, I + 8)
|
|
64
|
+
|
|
65
|
+
#define ASMJIT_TABLE_T_32(TABLE, VALUE, I) \
|
|
66
|
+
ASMJIT_TABLE_T_16(TABLE, VALUE, I), \
|
|
67
|
+
ASMJIT_TABLE_T_16(TABLE, VALUE, I + 16)
|
|
68
|
+
|
|
69
|
+
#define ASMJIT_TABLE_T_64(TABLE, VALUE, I) \
|
|
70
|
+
ASMJIT_TABLE_T_32(TABLE, VALUE, I), \
|
|
71
|
+
ASMJIT_TABLE_T_32(TABLE, VALUE, I + 32)
|
|
72
|
+
|
|
73
|
+
#define ASMJIT_TABLE_T_128(TABLE, VALUE, I) \
|
|
74
|
+
ASMJIT_TABLE_T_64(TABLE, VALUE, I), \
|
|
75
|
+
ASMJIT_TABLE_T_64(TABLE, VALUE, I + 64)
|
|
76
|
+
|
|
77
|
+
#define ASMJIT_TABLE_T_256(TABLE, VALUE, I) \
|
|
78
|
+
ASMJIT_TABLE_T_128(TABLE, VALUE, I), \
|
|
79
|
+
ASMJIT_TABLE_T_128(TABLE, VALUE, I + 128)
|
|
80
|
+
|
|
81
|
+
#define ASMJIT_TABLE_T_512(TABLE, VALUE, I) \
|
|
82
|
+
ASMJIT_TABLE_T_256(TABLE, VALUE, I), \
|
|
83
|
+
ASMJIT_TABLE_T_256(TABLE, VALUE, I + 256)
|
|
84
|
+
|
|
85
|
+
#define ASMJIT_TABLE_T_1024(TABLE, VALUE, I) \
|
|
86
|
+
ASMJIT_TABLE_T_512(TABLE, VALUE, I), \
|
|
87
|
+
ASMJIT_TABLE_T_512(TABLE, VALUE, I + 512)
|
|
88
|
+
|
|
89
|
+
//! \}
|
|
90
|
+
|
|
91
|
+
} // asmjit namespace
|
|
92
|
+
} // namespace PLMD
|
|
93
|
+
|
|
94
|
+
//! \}
|
|
95
|
+
|
|
96
|
+
// [Api-End]
|
|
97
|
+
#include "./asmjit_apiend.h"
|
|
98
|
+
|
|
99
|
+
// [Guard]
|
|
100
|
+
#endif // _ASMJIT_BASE_MISC_P_H
|
|
101
|
+
#pragma GCC diagnostic pop
|
|
102
|
+
#endif // __PLUMED_HAS_ASMJIT
|
|
103
|
+
#endif
|