hillclimber 0.1.6__cp313-cp313-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 +41 -0
- hillclimber/actions.py +53 -0
- hillclimber/analysis.py +590 -0
- hillclimber/biases.py +293 -0
- hillclimber/calc.py +22 -0
- hillclimber/cvs.py +1070 -0
- hillclimber/interfaces.py +133 -0
- hillclimber/metadynamics.py +416 -0
- hillclimber/nodes.py +6 -0
- hillclimber/opes.py +359 -0
- hillclimber/pycv.py +362 -0
- hillclimber/selectors.py +230 -0
- hillclimber/virtual_atoms.py +341 -0
- hillclimber-0.1.6.dist-info/METADATA +325 -0
- hillclimber-0.1.6.dist-info/RECORD +468 -0
- hillclimber-0.1.6.dist-info/WHEEL +6 -0
- hillclimber-0.1.6.dist-info/entry_points.txt +8 -0
- hillclimber-0.1.6.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
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- 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
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- plumed/_lib/include/plumed/tools/Brent1DRootSearch.h +159 -0
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- plumed/_lib/include/plumed/tools/LeptonCall.h +64 -0
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