hillclimber 0.1.5a8__cp314-cp314-macosx_15_0_x86_64.whl

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Files changed (469) hide show
  1. hillclimber/__init__.py +39 -0
  2. hillclimber/actions.py +53 -0
  3. hillclimber/analysis.py +590 -0
  4. hillclimber/biases.py +293 -0
  5. hillclimber/calc.py +22 -0
  6. hillclimber/cvs.py +1065 -0
  7. hillclimber/interfaces.py +133 -0
  8. hillclimber/metadynamics.py +325 -0
  9. hillclimber/nodes.py +6 -0
  10. hillclimber/opes.py +359 -0
  11. hillclimber/selectors.py +230 -0
  12. hillclimber/virtual_atoms.py +341 -0
  13. hillclimber-0.1.5a8.dist-info/METADATA +209 -0
  14. hillclimber-0.1.5a8.dist-info/RECORD +469 -0
  15. hillclimber-0.1.5a8.dist-info/WHEEL +6 -0
  16. hillclimber-0.1.5a8.dist-info/entry_points.txt +8 -0
  17. hillclimber-0.1.5a8.dist-info/licenses/LICENSE +165 -0
  18. plumed/__init__.py +104 -0
  19. plumed/_lib/bin/plumed +0 -0
  20. plumed/_lib/bin/plumed-config +9 -0
  21. plumed/_lib/bin/plumed-patch +9 -0
  22. plumed/_lib/include/plumed/adjmat/AdjacencyMatrixBase.h +659 -0
  23. plumed/_lib/include/plumed/adjmat/ContactMatrix.h +59 -0
  24. plumed/_lib/include/plumed/asmjit/arch.h +228 -0
  25. plumed/_lib/include/plumed/asmjit/arm.h +43 -0
  26. plumed/_lib/include/plumed/asmjit/asmjit.h +69 -0
  27. plumed/_lib/include/plumed/asmjit/asmjit_apibegin.h +143 -0
  28. plumed/_lib/include/plumed/asmjit/asmjit_apiend.h +93 -0
  29. plumed/_lib/include/plumed/asmjit/asmjit_build.h +971 -0
  30. plumed/_lib/include/plumed/asmjit/assembler.h +183 -0
  31. plumed/_lib/include/plumed/asmjit/base.h +56 -0
  32. plumed/_lib/include/plumed/asmjit/codebuilder.h +944 -0
  33. plumed/_lib/include/plumed/asmjit/codecompiler.h +767 -0
  34. plumed/_lib/include/plumed/asmjit/codeemitter.h +528 -0
  35. plumed/_lib/include/plumed/asmjit/codeholder.h +777 -0
  36. plumed/_lib/include/plumed/asmjit/constpool.h +286 -0
  37. plumed/_lib/include/plumed/asmjit/cpuinfo.h +402 -0
  38. plumed/_lib/include/plumed/asmjit/func.h +1327 -0
  39. plumed/_lib/include/plumed/asmjit/globals.h +370 -0
  40. plumed/_lib/include/plumed/asmjit/inst.h +137 -0
  41. plumed/_lib/include/plumed/asmjit/logging.h +317 -0
  42. plumed/_lib/include/plumed/asmjit/misc_p.h +103 -0
  43. plumed/_lib/include/plumed/asmjit/moved_string.h +318 -0
  44. plumed/_lib/include/plumed/asmjit/operand.h +1599 -0
  45. plumed/_lib/include/plumed/asmjit/osutils.h +207 -0
  46. plumed/_lib/include/plumed/asmjit/regalloc_p.h +597 -0
  47. plumed/_lib/include/plumed/asmjit/runtime.h +227 -0
  48. plumed/_lib/include/plumed/asmjit/simdtypes.h +1104 -0
  49. plumed/_lib/include/plumed/asmjit/utils.h +1387 -0
  50. plumed/_lib/include/plumed/asmjit/vmem.h +183 -0
  51. plumed/_lib/include/plumed/asmjit/x86.h +45 -0
  52. plumed/_lib/include/plumed/asmjit/x86assembler.h +125 -0
  53. plumed/_lib/include/plumed/asmjit/x86builder.h +117 -0
  54. plumed/_lib/include/plumed/asmjit/x86compiler.h +322 -0
  55. plumed/_lib/include/plumed/asmjit/x86emitter.h +5149 -0
  56. plumed/_lib/include/plumed/asmjit/x86globals.h +535 -0
  57. plumed/_lib/include/plumed/asmjit/x86inst.h +2547 -0
  58. plumed/_lib/include/plumed/asmjit/x86instimpl_p.h +74 -0
  59. plumed/_lib/include/plumed/asmjit/x86internal_p.h +108 -0
  60. plumed/_lib/include/plumed/asmjit/x86logging_p.h +92 -0
  61. plumed/_lib/include/plumed/asmjit/x86misc.h +417 -0
  62. plumed/_lib/include/plumed/asmjit/x86operand.h +1133 -0
  63. plumed/_lib/include/plumed/asmjit/x86regalloc_p.h +734 -0
  64. plumed/_lib/include/plumed/asmjit/zone.h +1157 -0
  65. plumed/_lib/include/plumed/bias/Bias.h +82 -0
  66. plumed/_lib/include/plumed/bias/ReweightBase.h +58 -0
  67. plumed/_lib/include/plumed/blas/blas.h +253 -0
  68. plumed/_lib/include/plumed/blas/def_external.h +61 -0
  69. plumed/_lib/include/plumed/blas/def_internal.h +97 -0
  70. plumed/_lib/include/plumed/blas/real.h +49 -0
  71. plumed/_lib/include/plumed/cltools/CLTool.h +32 -0
  72. plumed/_lib/include/plumed/clusters/ClusteringBase.h +70 -0
  73. plumed/_lib/include/plumed/colvar/Colvar.h +32 -0
  74. plumed/_lib/include/plumed/colvar/ColvarInput.h +68 -0
  75. plumed/_lib/include/plumed/colvar/ColvarShortcut.h +81 -0
  76. plumed/_lib/include/plumed/colvar/CoordinationBase.h +52 -0
  77. plumed/_lib/include/plumed/colvar/MultiColvarTemplate.h +333 -0
  78. plumed/_lib/include/plumed/colvar/PathMSDBase.h +101 -0
  79. plumed/_lib/include/plumed/colvar/RMSDVector.h +78 -0
  80. plumed/_lib/include/plumed/config/Config.h +118 -0
  81. plumed/_lib/include/plumed/config/version.h +9 -0
  82. plumed/_lib/include/plumed/contour/ContourFindingObject.h +87 -0
  83. plumed/_lib/include/plumed/contour/DistanceFromContourBase.h +82 -0
  84. plumed/_lib/include/plumed/contour/FindContour.h +67 -0
  85. plumed/_lib/include/plumed/core/Action.h +540 -0
  86. plumed/_lib/include/plumed/core/ActionAnyorder.h +48 -0
  87. plumed/_lib/include/plumed/core/ActionAtomistic.h +343 -0
  88. plumed/_lib/include/plumed/core/ActionForInterface.h +99 -0
  89. plumed/_lib/include/plumed/core/ActionPilot.h +57 -0
  90. plumed/_lib/include/plumed/core/ActionRegister.h +124 -0
  91. plumed/_lib/include/plumed/core/ActionSet.h +163 -0
  92. plumed/_lib/include/plumed/core/ActionSetup.h +48 -0
  93. plumed/_lib/include/plumed/core/ActionShortcut.h +73 -0
  94. plumed/_lib/include/plumed/core/ActionToGetData.h +59 -0
  95. plumed/_lib/include/plumed/core/ActionToPutData.h +101 -0
  96. plumed/_lib/include/plumed/core/ActionWithArguments.h +140 -0
  97. plumed/_lib/include/plumed/core/ActionWithMatrix.h +87 -0
  98. plumed/_lib/include/plumed/core/ActionWithValue.h +258 -0
  99. plumed/_lib/include/plumed/core/ActionWithVector.h +94 -0
  100. plumed/_lib/include/plumed/core/ActionWithVirtualAtom.h +123 -0
  101. plumed/_lib/include/plumed/core/CLTool.h +177 -0
  102. plumed/_lib/include/plumed/core/CLToolMain.h +102 -0
  103. plumed/_lib/include/plumed/core/CLToolRegister.h +108 -0
  104. plumed/_lib/include/plumed/core/Colvar.h +115 -0
  105. plumed/_lib/include/plumed/core/DataPassingObject.h +94 -0
  106. plumed/_lib/include/plumed/core/DataPassingTools.h +54 -0
  107. plumed/_lib/include/plumed/core/DomainDecomposition.h +120 -0
  108. plumed/_lib/include/plumed/core/ExchangePatterns.h +47 -0
  109. plumed/_lib/include/plumed/core/FlexibleBin.h +63 -0
  110. plumed/_lib/include/plumed/core/GREX.h +61 -0
  111. plumed/_lib/include/plumed/core/GenericMolInfo.h +89 -0
  112. plumed/_lib/include/plumed/core/Group.h +41 -0
  113. plumed/_lib/include/plumed/core/ModuleMap.h +30 -0
  114. plumed/_lib/include/plumed/core/ParallelTaskManager.h +1023 -0
  115. plumed/_lib/include/plumed/core/PbcAction.h +61 -0
  116. plumed/_lib/include/plumed/core/PlumedMain.h +632 -0
  117. plumed/_lib/include/plumed/core/PlumedMainInitializer.h +118 -0
  118. plumed/_lib/include/plumed/core/RegisterBase.h +340 -0
  119. plumed/_lib/include/plumed/core/TargetDist.h +48 -0
  120. plumed/_lib/include/plumed/core/Value.h +547 -0
  121. plumed/_lib/include/plumed/core/WithCmd.h +93 -0
  122. plumed/_lib/include/plumed/dimred/SMACOF.h +55 -0
  123. plumed/_lib/include/plumed/drr/DRR.h +383 -0
  124. plumed/_lib/include/plumed/drr/colvar_UIestimator.h +777 -0
  125. plumed/_lib/include/plumed/fisst/legendre_rule_fast.h +44 -0
  126. plumed/_lib/include/plumed/function/Custom.h +54 -0
  127. plumed/_lib/include/plumed/function/Function.h +85 -0
  128. plumed/_lib/include/plumed/function/FunctionOfMatrix.h +368 -0
  129. plumed/_lib/include/plumed/function/FunctionOfScalar.h +135 -0
  130. plumed/_lib/include/plumed/function/FunctionOfVector.h +296 -0
  131. plumed/_lib/include/plumed/function/FunctionSetup.h +180 -0
  132. plumed/_lib/include/plumed/function/FunctionShortcut.h +130 -0
  133. plumed/_lib/include/plumed/function/FunctionWithSingleArgument.h +165 -0
  134. plumed/_lib/include/plumed/gridtools/ActionWithGrid.h +43 -0
  135. plumed/_lib/include/plumed/gridtools/EvaluateGridFunction.h +99 -0
  136. plumed/_lib/include/plumed/gridtools/FunctionOfGrid.h +295 -0
  137. plumed/_lib/include/plumed/gridtools/GridCoordinatesObject.h +179 -0
  138. plumed/_lib/include/plumed/gridtools/GridSearch.h +135 -0
  139. plumed/_lib/include/plumed/gridtools/Interpolator.h +45 -0
  140. plumed/_lib/include/plumed/gridtools/KDE.h +455 -0
  141. plumed/_lib/include/plumed/gridtools/RDF.h +40 -0
  142. plumed/_lib/include/plumed/gridtools/SumOfKernels.h +219 -0
  143. plumed/_lib/include/plumed/isdb/MetainferenceBase.h +398 -0
  144. plumed/_lib/include/plumed/lapack/def_external.h +207 -0
  145. plumed/_lib/include/plumed/lapack/def_internal.h +388 -0
  146. plumed/_lib/include/plumed/lapack/lapack.h +899 -0
  147. plumed/_lib/include/plumed/lapack/lapack_limits.h +79 -0
  148. plumed/_lib/include/plumed/lapack/real.h +50 -0
  149. plumed/_lib/include/plumed/lepton/CompiledExpression.h +164 -0
  150. plumed/_lib/include/plumed/lepton/CustomFunction.h +143 -0
  151. plumed/_lib/include/plumed/lepton/Exception.h +93 -0
  152. plumed/_lib/include/plumed/lepton/ExpressionProgram.h +137 -0
  153. plumed/_lib/include/plumed/lepton/ExpressionTreeNode.h +145 -0
  154. plumed/_lib/include/plumed/lepton/Lepton.h +85 -0
  155. plumed/_lib/include/plumed/lepton/MSVC_erfc.h +123 -0
  156. plumed/_lib/include/plumed/lepton/Operation.h +1302 -0
  157. plumed/_lib/include/plumed/lepton/ParsedExpression.h +165 -0
  158. plumed/_lib/include/plumed/lepton/Parser.h +111 -0
  159. plumed/_lib/include/plumed/lepton/windowsIncludes.h +73 -0
  160. plumed/_lib/include/plumed/mapping/Path.h +44 -0
  161. plumed/_lib/include/plumed/mapping/PathProjectionCalculator.h +57 -0
  162. plumed/_lib/include/plumed/matrixtools/MatrixOperationBase.h +54 -0
  163. plumed/_lib/include/plumed/matrixtools/MatrixTimesMatrix.h +309 -0
  164. plumed/_lib/include/plumed/matrixtools/MatrixTimesVectorBase.h +365 -0
  165. plumed/_lib/include/plumed/matrixtools/OuterProduct.h +238 -0
  166. plumed/_lib/include/plumed/maze/Core.h +65 -0
  167. plumed/_lib/include/plumed/maze/Loss.h +86 -0
  168. plumed/_lib/include/plumed/maze/Member.h +66 -0
  169. plumed/_lib/include/plumed/maze/Memetic.h +799 -0
  170. plumed/_lib/include/plumed/maze/Optimizer.h +357 -0
  171. plumed/_lib/include/plumed/maze/Random_MT.h +156 -0
  172. plumed/_lib/include/plumed/maze/Tools.h +183 -0
  173. plumed/_lib/include/plumed/metatomic/vesin.h +188 -0
  174. plumed/_lib/include/plumed/molfile/Gromacs.h +2013 -0
  175. plumed/_lib/include/plumed/molfile/endianswap.h +217 -0
  176. plumed/_lib/include/plumed/molfile/fastio.h +683 -0
  177. plumed/_lib/include/plumed/molfile/largefiles.h +78 -0
  178. plumed/_lib/include/plumed/molfile/libmolfile_plugin.h +77 -0
  179. plumed/_lib/include/plumed/molfile/molfile_plugin.h +1034 -0
  180. plumed/_lib/include/plumed/molfile/periodic_table.h +248 -0
  181. plumed/_lib/include/plumed/molfile/readpdb.h +447 -0
  182. plumed/_lib/include/plumed/molfile/vmdplugin.h +236 -0
  183. plumed/_lib/include/plumed/multicolvar/MultiColvarShortcuts.h +45 -0
  184. plumed/_lib/include/plumed/opes/ExpansionCVs.h +79 -0
  185. plumed/_lib/include/plumed/sasa/Sasa.h +32 -0
  186. plumed/_lib/include/plumed/secondarystructure/SecondaryStructureBase.h +372 -0
  187. plumed/_lib/include/plumed/setup/ActionSetup.h +25 -0
  188. plumed/_lib/include/plumed/small_vector/small_vector.h +6114 -0
  189. plumed/_lib/include/plumed/symfunc/CoordinationNumbers.h +41 -0
  190. plumed/_lib/include/plumed/tools/Angle.h +52 -0
  191. plumed/_lib/include/plumed/tools/AtomDistribution.h +138 -0
  192. plumed/_lib/include/plumed/tools/AtomNumber.h +152 -0
  193. plumed/_lib/include/plumed/tools/BiasRepresentation.h +106 -0
  194. plumed/_lib/include/plumed/tools/BitmaskEnum.h +167 -0
  195. plumed/_lib/include/plumed/tools/Brent1DRootSearch.h +159 -0
  196. plumed/_lib/include/plumed/tools/CheckInRange.h +44 -0
  197. plumed/_lib/include/plumed/tools/Citations.h +74 -0
  198. plumed/_lib/include/plumed/tools/ColvarOutput.h +118 -0
  199. plumed/_lib/include/plumed/tools/Communicator.h +316 -0
  200. plumed/_lib/include/plumed/tools/ConjugateGradient.h +80 -0
  201. plumed/_lib/include/plumed/tools/DLLoader.h +79 -0
  202. plumed/_lib/include/plumed/tools/ERMSD.h +73 -0
  203. plumed/_lib/include/plumed/tools/Exception.h +406 -0
  204. plumed/_lib/include/plumed/tools/File.h +28 -0
  205. plumed/_lib/include/plumed/tools/FileBase.h +153 -0
  206. plumed/_lib/include/plumed/tools/FileTools.h +37 -0
  207. plumed/_lib/include/plumed/tools/ForwardDecl.h +54 -0
  208. plumed/_lib/include/plumed/tools/Grid.h +638 -0
  209. plumed/_lib/include/plumed/tools/HistogramBead.h +136 -0
  210. plumed/_lib/include/plumed/tools/IFile.h +117 -0
  211. plumed/_lib/include/plumed/tools/KernelFunctions.h +113 -0
  212. plumed/_lib/include/plumed/tools/Keywords.h +380 -0
  213. plumed/_lib/include/plumed/tools/LatticeReduction.h +66 -0
  214. plumed/_lib/include/plumed/tools/LeptonCall.h +64 -0
  215. plumed/_lib/include/plumed/tools/LinkCells.h +126 -0
  216. plumed/_lib/include/plumed/tools/Log.h +41 -0
  217. plumed/_lib/include/plumed/tools/LoopUnroller.h +163 -0
  218. plumed/_lib/include/plumed/tools/Matrix.h +721 -0
  219. plumed/_lib/include/plumed/tools/MatrixSquareBracketsAccess.h +138 -0
  220. plumed/_lib/include/plumed/tools/MergeVectorTools.h +153 -0
  221. plumed/_lib/include/plumed/tools/Minimise1DBrent.h +244 -0
  222. plumed/_lib/include/plumed/tools/MinimiseBase.h +120 -0
  223. plumed/_lib/include/plumed/tools/MolDataClass.h +51 -0
  224. plumed/_lib/include/plumed/tools/NeighborList.h +112 -0
  225. plumed/_lib/include/plumed/tools/OFile.h +286 -0
  226. plumed/_lib/include/plumed/tools/OpenACC.h +180 -0
  227. plumed/_lib/include/plumed/tools/OpenMP.h +75 -0
  228. plumed/_lib/include/plumed/tools/PDB.h +154 -0
  229. plumed/_lib/include/plumed/tools/Pbc.h +139 -0
  230. plumed/_lib/include/plumed/tools/PlumedHandle.h +105 -0
  231. plumed/_lib/include/plumed/tools/RMSD.h +493 -0
  232. plumed/_lib/include/plumed/tools/Random.h +80 -0
  233. plumed/_lib/include/plumed/tools/RootFindingBase.h +79 -0
  234. plumed/_lib/include/plumed/tools/Stopwatch.h +475 -0
  235. plumed/_lib/include/plumed/tools/Subprocess.h +142 -0
  236. plumed/_lib/include/plumed/tools/SwitchingFunction.h +208 -0
  237. plumed/_lib/include/plumed/tools/Tensor.h +724 -0
  238. plumed/_lib/include/plumed/tools/TokenizedLine.h +123 -0
  239. plumed/_lib/include/plumed/tools/Tools.h +638 -0
  240. plumed/_lib/include/plumed/tools/Torsion.h +55 -0
  241. plumed/_lib/include/plumed/tools/TrajectoryParser.h +118 -0
  242. plumed/_lib/include/plumed/tools/Tree.h +61 -0
  243. plumed/_lib/include/plumed/tools/TypesafePtr.h +463 -0
  244. plumed/_lib/include/plumed/tools/Units.h +167 -0
  245. plumed/_lib/include/plumed/tools/Vector.h +433 -0
  246. plumed/_lib/include/plumed/tools/View.h +296 -0
  247. plumed/_lib/include/plumed/tools/View2D.h +100 -0
  248. plumed/_lib/include/plumed/tools/h36.h +39 -0
  249. plumed/_lib/include/plumed/vatom/ActionWithVirtualAtom.h +32 -0
  250. plumed/_lib/include/plumed/ves/BasisFunctions.h +380 -0
  251. plumed/_lib/include/plumed/ves/CoeffsBase.h +310 -0
  252. plumed/_lib/include/plumed/ves/CoeffsMatrix.h +220 -0
  253. plumed/_lib/include/plumed/ves/CoeffsVector.h +251 -0
  254. plumed/_lib/include/plumed/ves/FermiSwitchingFunction.h +74 -0
  255. plumed/_lib/include/plumed/ves/GridIntegrationWeights.h +50 -0
  256. plumed/_lib/include/plumed/ves/GridLinearInterpolation.h +81 -0
  257. plumed/_lib/include/plumed/ves/GridProjWeights.h +61 -0
  258. plumed/_lib/include/plumed/ves/LinearBasisSetExpansion.h +303 -0
  259. plumed/_lib/include/plumed/ves/Optimizer.h +444 -0
  260. plumed/_lib/include/plumed/ves/TargetDistModifer.h +53 -0
  261. plumed/_lib/include/plumed/ves/TargetDistribution.h +266 -0
  262. plumed/_lib/include/plumed/ves/VesBias.h +545 -0
  263. plumed/_lib/include/plumed/ves/VesTools.h +142 -0
  264. plumed/_lib/include/plumed/ves/WaveletGrid.h +75 -0
  265. plumed/_lib/include/plumed/volumes/ActionVolume.h +268 -0
  266. plumed/_lib/include/plumed/volumes/VolumeShortcut.h +147 -0
  267. plumed/_lib/include/plumed/wrapper/Plumed.h +5025 -0
  268. plumed/_lib/include/plumed/xdrfile/xdrfile.h +663 -0
  269. plumed/_lib/include/plumed/xdrfile/xdrfile_trr.h +89 -0
  270. plumed/_lib/include/plumed/xdrfile/xdrfile_xtc.h +90 -0
  271. plumed/_lib/lib/PythonCVInterface.dylib +0 -0
  272. plumed/_lib/lib/libplumed.dylib +0 -0
  273. plumed/_lib/lib/libplumedKernel.dylib +0 -0
  274. plumed/_lib/lib/libplumedWrapper.a +0 -0
  275. plumed/_lib/lib/pkgconfig/plumed.pc +13 -0
  276. plumed/_lib/lib/pkgconfig/plumedInternals.pc +13 -0
  277. plumed/_lib/lib/pkgconfig/plumedWrapper.pc +13 -0
  278. plumed/_lib/lib/plumed/fortran/plumed.f90 +879 -0
  279. plumed/_lib/lib/plumed/fortran/plumed_f08.f90 +2625 -0
  280. plumed/_lib/lib/plumed/modulefile +69 -0
  281. plumed/_lib/lib/plumed/patches/gromacs-2022.5.config +43 -0
  282. plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/CMakeLists.txt +543 -0
  283. plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/CMakeLists.txt.preplumed +540 -0
  284. plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdlib/expanded.cpp +1628 -0
  285. plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdlib/expanded.cpp.preplumed +1590 -0
  286. plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdlib/expanded.h +103 -0
  287. plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdlib/expanded.h.preplumed +99 -0
  288. plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdlib/sim_util.cpp +2527 -0
  289. plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdlib/sim_util.cpp.preplumed +2513 -0
  290. plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/legacymdrunoptions.cpp +208 -0
  291. plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/legacymdrunoptions.cpp.preplumed +175 -0
  292. plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/legacymdrunoptions.h +408 -0
  293. plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/legacymdrunoptions.h.preplumed +394 -0
  294. plumed/_lib/lib/plumed/patches/gromacs-2022.5.diff/src/gromacs/mdrun/md.cpp +2348 -0
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@@ -0,0 +1,74 @@
1
+ /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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+ Copyright (c) 2008-2017, Petr Kobalicek
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+
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+ This software is provided 'as-is', without any express or implied
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+ warranty. In no event will the authors be held liable for any damages
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+ arising from the use of this software.
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+
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+ Permission is granted to anyone to use this software for any purpose,
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+ including commercial applications, and to alter it and redistribute it
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+ freely, subject to the following restrictions:
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+
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+ 1. The origin of this software must not be misrepresented; you must not
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+ claim that you wrote the original software. If you use this software
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+ in a product, an acknowledgment in the product documentation would be
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+ appreciated but is not required.
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+ 2. Altered source versions must be plainly marked as such, and must not be
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+ misrepresented as being the original software.
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+ 3. This notice may not be removed or altered from any source distribution.
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+ +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
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+ #ifndef __PLUMED_asmjit_x86instimpl_p_h
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+ #define __PLUMED_asmjit_x86instimpl_p_h
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+ #ifdef __PLUMED_HAS_ASMJIT
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+ #pragma GCC diagnostic push
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+ #pragma GCC diagnostic ignored "-Wpedantic"
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+ // [AsmJit]
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+ // Complete x86/x64 JIT and Remote Assembler for C++.
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+ //
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+ // [License]
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+ // Zlib - See LICENSE.md file in the package.
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+
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+ // [Guard]
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+ #ifndef _ASMJIT_X86_X86INSTIMPL_P_H
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+ #define _ASMJIT_X86_X86INSTIMPL_P_H
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+
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+ // [Dependencies]
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+ #include "./x86inst.h"
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+
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+ // [Api-Begin]
39
+ #include "./asmjit_apibegin.h"
40
+
41
+ namespace PLMD {
42
+ namespace asmjit {
43
+
44
+ //! \addtogroup asmjit_x86
45
+ //! \{
46
+
47
+ //! \internal
48
+ //!
49
+ //! Contains X86/X64 specific implementation of APIs provided by `asmjit::Inst`.
50
+ //!
51
+ //! The purpose of `X86InstImpl` is to move most of the logic out of `X86Inst`.
52
+ struct X86InstImpl {
53
+ #if !defined(ASMJIT_DISABLE_VALIDATION)
54
+ static Error validate(uint32_t archType, const Inst::Detail& detail, const Operand_* operands, uint32_t count) noexcept;
55
+ #endif
56
+
57
+ #if !defined(ASMJIT_DISABLE_EXTENSIONS)
58
+ static Error checkFeatures(uint32_t archType, const Inst::Detail& detail, const Operand_* operands, uint32_t count, CpuFeatures& out) noexcept;
59
+ #endif
60
+ };
61
+
62
+ //! \}
63
+
64
+ } // asmjit namespace
65
+ } // namespace PLMD
66
+
67
+ // [Api-End]
68
+ #include "./asmjit_apiend.h"
69
+
70
+ // [Guard]
71
+ #endif // _ASMJIT_X86_X86INSTIMPL_P_H
72
+ #pragma GCC diagnostic pop
73
+ #endif // __PLUMED_HAS_ASMJIT
74
+ #endif
@@ -0,0 +1,108 @@
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_x86internal_p_h
21
+ #define __PLUMED_asmjit_x86internal_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_X86_X86INTERNAL_P_H
33
+ #define _ASMJIT_X86_X86INTERNAL_P_H
34
+
35
+ #include "./asmjit_build.h"
36
+
37
+ // [Dependencies]
38
+ #include "./func.h"
39
+ #include "./x86emitter.h"
40
+ #include "./x86operand.h"
41
+
42
+ // [Api-Begin]
43
+ #include "./asmjit_apibegin.h"
44
+
45
+ namespace PLMD {
46
+ namespace asmjit {
47
+
48
+ //! \addtogroup asmjit_base
49
+ //! \{
50
+
51
+ // ============================================================================
52
+ // [asmjit::X86Internal]
53
+ // ============================================================================
54
+
55
+ //! \internal
56
+ //!
57
+ //! X86 utilities used at multiple places, not part of public API, not exported.
58
+ struct X86Internal {
59
+ //! Initialize `CallConv` to X86/X64 specific calling convention.
60
+ static Error initCallConv(CallConv& cc, uint32_t ccId) noexcept;
61
+
62
+ //! Initialize `FuncDetail` to X86/X64 specific function signature.
63
+ static Error initFuncDetail(FuncDetail& func, const FuncSignature& sign, uint32_t gpSize) noexcept;
64
+
65
+ //! Initialize `FuncFrameLayout` from X86/X64 specific function detail and frame information.
66
+ static Error initFrameLayout(FuncFrameLayout& layout, const FuncDetail& func, const FuncFrameInfo& ffi) noexcept;
67
+
68
+ static Error argsToFrameInfo(const FuncArgsMapper& args, FuncFrameInfo& ffi) noexcept;
69
+
70
+ //! Emit function prolog.
71
+ static Error emitProlog(X86Emitter* emitter, const FuncFrameLayout& layout);
72
+
73
+ //! Emit function epilog.
74
+ static Error emitEpilog(X86Emitter* emitter, const FuncFrameLayout& layout);
75
+
76
+ //! Emit a pure move operation between two registers or the same type or
77
+ //! between a register and its home slot. This function does not handle
78
+ //! register conversion.
79
+ static Error emitRegMove(X86Emitter* emitter,
80
+ const Operand_& dst_,
81
+ const Operand_& src_, uint32_t typeId, bool avxEnabled, const char* comment = nullptr);
82
+
83
+ //! Emit move from a function argument (either register or stack) to a register.
84
+ //!
85
+ //! This function can handle the necessary conversion from one argument to
86
+ //! another, and from one register type to another, if it's possible. Any
87
+ //! attempt of conversion that requires third register of a different kind
88
+ //! (for example conversion from K to MMX) will fail.
89
+ static Error emitArgMove(X86Emitter* emitter,
90
+ const X86Reg& dst_, uint32_t dstTypeId,
91
+ const Operand_& src_, uint32_t srcTypeId, bool avxEnabled, const char* comment = nullptr);
92
+
93
+ static Error allocArgs(X86Emitter* emitter, const FuncFrameLayout& layout, const FuncArgsMapper& args);
94
+ };
95
+
96
+ //! \}
97
+
98
+ } // asmjit namespace
99
+ } // namespace PLMD
100
+
101
+ // [Api-End]
102
+ #include "./asmjit_apiend.h"
103
+
104
+ // [Guard]
105
+ #endif // _ASMJIT_X86_X86INTERNAL_P_H
106
+ #pragma GCC diagnostic pop
107
+ #endif // __PLUMED_HAS_ASMJIT
108
+ #endif
@@ -0,0 +1,92 @@
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_x86logging_p_h
21
+ #define __PLUMED_asmjit_x86logging_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_X86_X86LOGGING_P_H
33
+ #define _ASMJIT_X86_X86LOGGING_P_H
34
+
35
+ #include "./asmjit_build.h"
36
+ #if !defined(ASMJIT_DISABLE_LOGGING)
37
+
38
+ // [Dependencies]
39
+ #include "./logging.h"
40
+ #include "./x86globals.h"
41
+
42
+ // [Api-Begin]
43
+ #include "./asmjit_apibegin.h"
44
+
45
+ namespace PLMD {
46
+ namespace asmjit {
47
+
48
+ //! \addtogroup asmjit_base
49
+ //! \{
50
+
51
+ // ============================================================================
52
+ // [asmjit::X86Logging]
53
+ // ============================================================================
54
+
55
+ struct X86Logging {
56
+ static Error formatRegister(
57
+ StringBuilder& sb,
58
+ uint32_t logOptions,
59
+ const CodeEmitter* emitter,
60
+ uint32_t archType,
61
+ uint32_t regType,
62
+ uint32_t regId) noexcept;
63
+
64
+ static Error formatOperand(
65
+ StringBuilder& sb,
66
+ uint32_t logOptions,
67
+ const CodeEmitter* emitter,
68
+ uint32_t archType,
69
+ const Operand_& op) noexcept;
70
+
71
+ static Error formatInstruction(
72
+ StringBuilder& sb,
73
+ uint32_t logOptions,
74
+ const CodeEmitter* emitter,
75
+ uint32_t archType,
76
+ const Inst::Detail& detail, const Operand_* opArray, uint32_t opCount) noexcept;
77
+ };
78
+
79
+ //! \}
80
+
81
+ } // asmjit namespace
82
+ } // namespace PLMD
83
+
84
+ // [Api-End]
85
+ #include "./asmjit_apiend.h"
86
+
87
+ // [Guard]
88
+ #endif // !ASMJIT_DISABLE_LOGGING
89
+ #endif // _ASMJIT_X86_X86LOGGING_P_H
90
+ #pragma GCC diagnostic pop
91
+ #endif // __PLUMED_HAS_ASMJIT
92
+ #endif
@@ -0,0 +1,417 @@
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_x86misc_h
21
+ #define __PLUMED_asmjit_x86misc_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_X86_X86MISC_H
33
+ #define _ASMJIT_X86_X86MISC_H
34
+
35
+ // [Dependencies]
36
+ #include "./x86operand.h"
37
+
38
+ // [Api-Begin]
39
+ #include "./asmjit_apibegin.h"
40
+
41
+ namespace PLMD {
42
+ namespace asmjit {
43
+
44
+ //! \addtogroup asmjit_x86
45
+ //! \{
46
+
47
+ // ============================================================================
48
+ // [asmjit::X86RegCount]
49
+ // ============================================================================
50
+
51
+ //! \internal
52
+ //!
53
+ //! X86/X64 registers count.
54
+ //!
55
+ //! Since the number of registers changed across CPU generations `X86RegCount`
56
+ //! class is used by `X86Assembler` and `X86Compiler` to provide a way to get
57
+ //! number of available registers dynamically. 32-bit mode offers always only
58
+ //! 8 registers of all classes, however, 64-bit mode offers 16 GP registers and
59
+ //! 16 XMM/YMM/ZMM registers. AVX512 instruction set doubles the number of SIMD
60
+ //! registers (XMM/YMM/ZMM) to 32, this mode has to be explicitly enabled to
61
+ //! take effect as it changes some assumptions.
62
+ //!
63
+ //! `X86RegCount` is also used extensively by X86Compiler's register allocator
64
+ //! and data structures. FP registers were omitted as they are never mapped to
65
+ //! variables, thus, not needed to be managed.
66
+ //!
67
+ //! NOTE: At the moment `X86RegCount` can fit into 32-bits, having 8-bits for
68
+ //! each register kind except FP. This can change in the future after a new
69
+ //! instruction set, which adds more registers, is introduced.
70
+ struct X86RegCount {
71
+ // --------------------------------------------------------------------------
72
+ // [Zero]
73
+ // --------------------------------------------------------------------------
74
+
75
+ //! Reset all counters to zero.
76
+ ASMJIT_INLINE void reset() noexcept { _packed = 0; }
77
+
78
+ // --------------------------------------------------------------------------
79
+ // [Get]
80
+ // --------------------------------------------------------------------------
81
+
82
+ //! Get register count by a register `kind`.
83
+ ASMJIT_INLINE uint32_t get(uint32_t kind) const noexcept {
84
+ ASMJIT_ASSERT(kind < Globals::kMaxVRegKinds);
85
+
86
+ uint32_t shift = Utils::byteShiftOfDWordStruct(kind);
87
+ return (_packed >> shift) & static_cast<uint32_t>(0xFF);
88
+ }
89
+
90
+ //! Get Gp count.
91
+ ASMJIT_INLINE uint32_t getGp() const noexcept { return get(X86Reg::kKindGp); }
92
+ //! Get Mm count.
93
+ ASMJIT_INLINE uint32_t getMm() const noexcept { return get(X86Reg::kKindMm); }
94
+ //! Get K count.
95
+ ASMJIT_INLINE uint32_t getK() const noexcept { return get(X86Reg::kKindK); }
96
+ //! Get XMM/YMM/ZMM count.
97
+ ASMJIT_INLINE uint32_t getVec() const noexcept { return get(X86Reg::kKindVec); }
98
+
99
+ // --------------------------------------------------------------------------
100
+ // [Set]
101
+ // --------------------------------------------------------------------------
102
+
103
+ //! Set register count by a register `kind`.
104
+ ASMJIT_INLINE void set(uint32_t kind, uint32_t n) noexcept {
105
+ ASMJIT_ASSERT(kind < Globals::kMaxVRegKinds);
106
+ ASMJIT_ASSERT(n <= 0xFF);
107
+
108
+ uint32_t shift = Utils::byteShiftOfDWordStruct(kind);
109
+ _packed = (_packed & ~static_cast<uint32_t>(0xFF << shift)) + (n << shift);
110
+ }
111
+
112
+ //! Set Gp count.
113
+ ASMJIT_INLINE void setGp(uint32_t n) noexcept { set(X86Reg::kKindGp, n); }
114
+ //! Set Mm count.
115
+ ASMJIT_INLINE void setMm(uint32_t n) noexcept { set(X86Reg::kKindMm, n); }
116
+ //! Set K count.
117
+ ASMJIT_INLINE void setK(uint32_t n) noexcept { set(X86Reg::kKindK, n); }
118
+ //! Set XMM/YMM/ZMM count.
119
+ ASMJIT_INLINE void setVec(uint32_t n) noexcept { set(X86Reg::kKindVec, n); }
120
+
121
+ // --------------------------------------------------------------------------
122
+ // [Add]
123
+ // --------------------------------------------------------------------------
124
+
125
+ //! Add register count by a register `kind`.
126
+ ASMJIT_INLINE void add(uint32_t kind, uint32_t n = 1) noexcept {
127
+ ASMJIT_ASSERT(kind < Globals::kMaxVRegKinds);
128
+ ASMJIT_ASSERT(0xFF - static_cast<uint32_t>(_regs[kind]) >= n);
129
+
130
+ uint32_t shift = Utils::byteShiftOfDWordStruct(kind);
131
+ _packed += n << shift;
132
+ }
133
+
134
+ //! Add GP count.
135
+ ASMJIT_INLINE void addGp(uint32_t n) noexcept { add(X86Reg::kKindGp, n); }
136
+ //! Add MMX count.
137
+ ASMJIT_INLINE void addMm(uint32_t n) noexcept { add(X86Reg::kKindMm, n); }
138
+ //! Add K count.
139
+ ASMJIT_INLINE void addK(uint32_t n) noexcept { add(X86Reg::kKindK, n); }
140
+ //! Add XMM/YMM/ZMM count.
141
+ ASMJIT_INLINE void addVec(uint32_t n) noexcept { add(X86Reg::kKindVec, n); }
142
+
143
+ // --------------------------------------------------------------------------
144
+ // [Misc]
145
+ // --------------------------------------------------------------------------
146
+
147
+ //! Build register indexes based on the given `count` of registers.
148
+ ASMJIT_INLINE void indexFromRegCount(const X86RegCount& count) noexcept {
149
+ uint32_t x = static_cast<uint32_t>(count._regs[0]);
150
+ uint32_t y = static_cast<uint32_t>(count._regs[1]) + x;
151
+ uint32_t z = static_cast<uint32_t>(count._regs[2]) + y;
152
+
153
+ ASMJIT_ASSERT(y <= 0xFF);
154
+ ASMJIT_ASSERT(z <= 0xFF);
155
+ _packed = Utils::pack32_4x8(0, x, y, z);
156
+ }
157
+
158
+ // --------------------------------------------------------------------------
159
+ // [Members]
160
+ // --------------------------------------------------------------------------
161
+
162
+ union {
163
+ struct {
164
+ //! Count of GP registers.
165
+ uint8_t _gp;
166
+ //! Count of XMM|YMM|ZMM registers.
167
+ uint8_t _vec;
168
+ //! Count of MMX registers.
169
+ uint8_t _mm;
170
+ //! Count of K registers.
171
+ uint8_t _k;
172
+ };
173
+
174
+ uint8_t _regs[4];
175
+ uint32_t _packed;
176
+ };
177
+ };
178
+
179
+ // ============================================================================
180
+ // [asmjit::X86RegMask]
181
+ // ============================================================================
182
+
183
+ //! \internal
184
+ //!
185
+ //! X86/X64 registers mask.
186
+ struct X86RegMask {
187
+ // --------------------------------------------------------------------------
188
+ // [Reset]
189
+ // --------------------------------------------------------------------------
190
+
191
+ //! Reset all register masks to zero.
192
+ ASMJIT_INLINE void reset() noexcept {
193
+ _packed.reset();
194
+ }
195
+
196
+ // --------------------------------------------------------------------------
197
+ // [IsEmpty / Has]
198
+ // --------------------------------------------------------------------------
199
+
200
+ //! Get whether all register masks are zero (empty).
201
+ ASMJIT_INLINE bool isEmpty() const noexcept {
202
+ return _packed.isZero();
203
+ }
204
+
205
+ ASMJIT_INLINE bool has(uint32_t kind, uint32_t mask = 0xFFFFFFFFU) const noexcept {
206
+ ASMJIT_ASSERT(kind < Globals::kMaxVRegKinds);
207
+
208
+ switch (kind) {
209
+ case X86Reg::kKindGp : return (static_cast<uint32_t>(_gp ) & mask) != 0;
210
+ case X86Reg::kKindVec: return (static_cast<uint32_t>(_vec) & mask) != 0;
211
+ case X86Reg::kKindMm : return (static_cast<uint32_t>(_mm ) & mask) != 0;
212
+ case X86Reg::kKindK : return (static_cast<uint32_t>(_k ) & mask) != 0;
213
+ }
214
+
215
+ return false;
216
+ }
217
+
218
+ ASMJIT_INLINE bool hasGp(uint32_t mask = 0xFFFFFFFFU) const noexcept { return has(X86Reg::kKindGp, mask); }
219
+ ASMJIT_INLINE bool hasVec(uint32_t mask = 0xFFFFFFFFU) const noexcept { return has(X86Reg::kKindVec, mask); }
220
+ ASMJIT_INLINE bool hasMm(uint32_t mask = 0xFFFFFFFFU) const noexcept { return has(X86Reg::kKindMm, mask); }
221
+ ASMJIT_INLINE bool hasK(uint32_t mask = 0xFFFFFFFFU) const noexcept { return has(X86Reg::kKindK, mask); }
222
+
223
+ // --------------------------------------------------------------------------
224
+ // [Get]
225
+ // --------------------------------------------------------------------------
226
+
227
+ ASMJIT_INLINE uint32_t get(uint32_t kind) const noexcept {
228
+ ASMJIT_ASSERT(kind < Globals::kMaxVRegKinds);
229
+
230
+ switch (kind) {
231
+ case X86Reg::kKindGp : return _gp;
232
+ case X86Reg::kKindVec: return _vec;
233
+ case X86Reg::kKindMm : return _mm;
234
+ case X86Reg::kKindK : return _k;
235
+ }
236
+
237
+ return 0;
238
+ }
239
+
240
+ ASMJIT_INLINE uint32_t getGp() const noexcept { return get(X86Reg::kKindGp); }
241
+ ASMJIT_INLINE uint32_t getVec() const noexcept { return get(X86Reg::kKindVec); }
242
+ ASMJIT_INLINE uint32_t getMm() const noexcept { return get(X86Reg::kKindMm); }
243
+ ASMJIT_INLINE uint32_t getK() const noexcept { return get(X86Reg::kKindK); }
244
+
245
+ // --------------------------------------------------------------------------
246
+ // [Zero]
247
+ // --------------------------------------------------------------------------
248
+
249
+ ASMJIT_INLINE void zero(uint32_t kind) noexcept {
250
+ ASMJIT_ASSERT(kind < Globals::kMaxVRegKinds);
251
+
252
+ switch (kind) {
253
+ case X86Reg::kKindGp : _gp = 0; break;
254
+ case X86Reg::kKindVec: _vec = 0; break;
255
+ case X86Reg::kKindMm : _mm = 0; break;
256
+ case X86Reg::kKindK : _k = 0; break;
257
+ }
258
+ }
259
+
260
+ ASMJIT_INLINE void zeroGp() noexcept { zero(X86Reg::kKindGp); }
261
+ ASMJIT_INLINE void zeroVec() noexcept { zero(X86Reg::kKindVec); }
262
+ ASMJIT_INLINE void zeroMm() noexcept { zero(X86Reg::kKindMm); }
263
+ ASMJIT_INLINE void zeroK() noexcept { zero(X86Reg::kKindK); }
264
+
265
+ // --------------------------------------------------------------------------
266
+ // [Set]
267
+ // --------------------------------------------------------------------------
268
+
269
+ ASMJIT_INLINE void set(const X86RegMask& other) noexcept {
270
+ _packed = other._packed;
271
+ }
272
+
273
+ ASMJIT_INLINE void set(uint32_t kind, uint32_t mask) noexcept {
274
+ ASMJIT_ASSERT(kind < Globals::kMaxVRegKinds);
275
+
276
+ switch (kind) {
277
+ case X86Reg::kKindGp : _gp = static_cast<uint16_t>(mask); break;
278
+ case X86Reg::kKindMm : _mm = static_cast<uint8_t >(mask); break;
279
+ case X86Reg::kKindK : _k = static_cast<uint8_t >(mask); break;
280
+ case X86Reg::kKindVec: _vec = static_cast<uint32_t>(mask); break;
281
+ }
282
+ }
283
+
284
+ ASMJIT_INLINE void setGp(uint32_t mask) noexcept { return set(X86Reg::kKindGp, mask); }
285
+ ASMJIT_INLINE void setVec(uint32_t mask) noexcept { return set(X86Reg::kKindVec, mask); }
286
+ ASMJIT_INLINE void setMm(uint32_t mask) noexcept { return set(X86Reg::kKindMm, mask); }
287
+ ASMJIT_INLINE void setK(uint32_t mask) noexcept { return set(X86Reg::kKindK, mask); }
288
+
289
+ // --------------------------------------------------------------------------
290
+ // [And]
291
+ // --------------------------------------------------------------------------
292
+
293
+ ASMJIT_INLINE void and_(const X86RegMask& other) noexcept {
294
+ _packed.and_(other._packed);
295
+ }
296
+
297
+ ASMJIT_INLINE void and_(uint32_t kind, uint32_t mask) noexcept {
298
+ ASMJIT_ASSERT(kind < Globals::kMaxVRegKinds);
299
+
300
+ switch (kind) {
301
+ case X86Reg::kKindGp : _gp &= static_cast<uint16_t>(mask); break;
302
+ case X86Reg::kKindMm : _mm &= static_cast<uint8_t >(mask); break;
303
+ case X86Reg::kKindK : _k &= static_cast<uint8_t >(mask); break;
304
+ case X86Reg::kKindVec: _vec &= static_cast<uint32_t>(mask); break;
305
+ }
306
+ }
307
+
308
+ ASMJIT_INLINE void andGp(uint32_t mask) noexcept { and_(X86Reg::kKindGp, mask); }
309
+ ASMJIT_INLINE void andVec(uint32_t mask) noexcept { and_(X86Reg::kKindVec, mask); }
310
+ ASMJIT_INLINE void andMm(uint32_t mask) noexcept { and_(X86Reg::kKindMm, mask); }
311
+ ASMJIT_INLINE void andK(uint32_t mask) noexcept { and_(X86Reg::kKindK, mask); }
312
+
313
+ // --------------------------------------------------------------------------
314
+ // [AndNot]
315
+ // --------------------------------------------------------------------------
316
+
317
+ ASMJIT_INLINE void andNot(const X86RegMask& other) noexcept {
318
+ _packed.andNot(other._packed);
319
+ }
320
+
321
+ ASMJIT_INLINE void andNot(uint32_t kind, uint32_t mask) noexcept {
322
+ ASMJIT_ASSERT(kind < Globals::kMaxVRegKinds);
323
+
324
+ switch (kind) {
325
+ case X86Reg::kKindGp : _gp &= ~static_cast<uint16_t>(mask); break;
326
+ case X86Reg::kKindMm : _mm &= ~static_cast<uint8_t >(mask); break;
327
+ case X86Reg::kKindK : _k &= ~static_cast<uint8_t >(mask); break;
328
+ case X86Reg::kKindVec: _vec &= ~static_cast<uint32_t>(mask); break;
329
+ }
330
+ }
331
+
332
+ ASMJIT_INLINE void andNotGp(uint32_t mask) noexcept { andNot(X86Reg::kKindGp, mask); }
333
+ ASMJIT_INLINE void andNotVec(uint32_t mask) noexcept { andNot(X86Reg::kKindVec, mask); }
334
+ ASMJIT_INLINE void andNotMm(uint32_t mask) noexcept { andNot(X86Reg::kKindMm, mask); }
335
+ ASMJIT_INLINE void andNotK(uint32_t mask) noexcept { andNot(X86Reg::kKindK, mask); }
336
+
337
+ // --------------------------------------------------------------------------
338
+ // [Or]
339
+ // --------------------------------------------------------------------------
340
+
341
+ ASMJIT_INLINE void or_(const X86RegMask& other) noexcept {
342
+ _packed.or_(other._packed);
343
+ }
344
+
345
+ ASMJIT_INLINE void or_(uint32_t kind, uint32_t mask) noexcept {
346
+ ASMJIT_ASSERT(kind < Globals::kMaxVRegKinds);
347
+ switch (kind) {
348
+ case X86Reg::kKindGp : _gp |= static_cast<uint16_t>(mask); break;
349
+ case X86Reg::kKindMm : _mm |= static_cast<uint8_t >(mask); break;
350
+ case X86Reg::kKindK : _k |= static_cast<uint8_t >(mask); break;
351
+ case X86Reg::kKindVec: _vec |= static_cast<uint32_t>(mask); break;
352
+ }
353
+ }
354
+
355
+ ASMJIT_INLINE void orGp(uint32_t mask) noexcept { return or_(X86Reg::kKindGp, mask); }
356
+ ASMJIT_INLINE void orVec(uint32_t mask) noexcept { return or_(X86Reg::kKindVec, mask); }
357
+ ASMJIT_INLINE void orMm(uint32_t mask) noexcept { return or_(X86Reg::kKindMm, mask); }
358
+ ASMJIT_INLINE void orK(uint32_t mask) noexcept { return or_(X86Reg::kKindK, mask); }
359
+
360
+ // --------------------------------------------------------------------------
361
+ // [Xor]
362
+ // --------------------------------------------------------------------------
363
+
364
+ ASMJIT_INLINE void xor_(const X86RegMask& other) noexcept {
365
+ _packed.xor_(other._packed);
366
+ }
367
+
368
+ ASMJIT_INLINE void xor_(uint32_t kind, uint32_t mask) noexcept {
369
+ ASMJIT_ASSERT(kind < Globals::kMaxVRegKinds);
370
+
371
+ switch (kind) {
372
+ case X86Reg::kKindGp : _gp ^= static_cast<uint16_t>(mask); break;
373
+ case X86Reg::kKindMm : _mm ^= static_cast<uint8_t >(mask); break;
374
+ case X86Reg::kKindK : _k ^= static_cast<uint8_t >(mask); break;
375
+ case X86Reg::kKindVec: _vec ^= static_cast<uint32_t>(mask); break;
376
+ }
377
+ }
378
+
379
+ ASMJIT_INLINE void xorGp(uint32_t mask) noexcept { xor_(X86Reg::kKindGp, mask); }
380
+ ASMJIT_INLINE void xorVec(uint32_t mask) noexcept { xor_(X86Reg::kKindVec, mask); }
381
+ ASMJIT_INLINE void xorMm(uint32_t mask) noexcept { xor_(X86Reg::kKindMm, mask); }
382
+ ASMJIT_INLINE void xorK(uint32_t mask) noexcept { xor_(X86Reg::kKindK, mask); }
383
+
384
+ // --------------------------------------------------------------------------
385
+ // [Members]
386
+ // --------------------------------------------------------------------------
387
+
388
+ union {
389
+ struct {
390
+ //! GP registers mask (16 bits).
391
+ uint16_t _gp;
392
+ //! MMX registers mask (8 bits).
393
+ uint8_t _mm;
394
+ //! K registers mask (8 bits).
395
+ uint8_t _k;
396
+ //! XMM|YMM|ZMM registers mask (32 bits).
397
+ uint32_t _vec;
398
+ };
399
+
400
+ //! Packed masks.
401
+ UInt64 _packed;
402
+ };
403
+ };
404
+
405
+ //! \}
406
+
407
+ } // asmjit namespace
408
+ } // namespace PLMD
409
+
410
+ // [Api-End]
411
+ #include "./asmjit_apiend.h"
412
+
413
+ // [Guard]
414
+ #endif // _ASMJIT_X86_X86MISC_H
415
+ #pragma GCC diagnostic pop
416
+ #endif // __PLUMED_HAS_ASMJIT
417
+ #endif