pyEQL 1.4.0rc9__cp311-cp311-win_amd64.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.
Files changed (519) hide show
  1. pyEQL/__init__.py +50 -0
  2. pyEQL/_phreeqc.cp311-win_amd64.pyd +0 -0
  3. pyEQL/activity_correction.py +879 -0
  4. pyEQL/database/geothermal.dat +5693 -0
  5. pyEQL/database/llnl.dat +19305 -0
  6. pyEQL/database/phreeqc_license.txt +54 -0
  7. pyEQL/database/pyeql_db.json +35607 -0
  8. pyEQL/engines.py +1153 -0
  9. pyEQL/equilibrium.py +227 -0
  10. pyEQL/functions.py +281 -0
  11. pyEQL/phreeqc/__init__.py +5 -0
  12. pyEQL/phreeqc/bindings.cpp +84 -0
  13. pyEQL/phreeqc/core.py +239 -0
  14. pyEQL/phreeqc/database/Amm.dat +1968 -0
  15. pyEQL/phreeqc/database/CMakeLists.txt +32 -0
  16. pyEQL/phreeqc/database/ColdChem.dat +267 -0
  17. pyEQL/phreeqc/database/Concrete_PHR.dat +158 -0
  18. pyEQL/phreeqc/database/Concrete_PZ.dat +195 -0
  19. pyEQL/phreeqc/database/Kinec.v2.dat +12039 -0
  20. pyEQL/phreeqc/database/Kinec_v3.dat +12159 -0
  21. pyEQL/phreeqc/database/Makefile.am +28 -0
  22. pyEQL/phreeqc/database/Makefile.in +530 -0
  23. pyEQL/phreeqc/database/PHREEQC_ThermoddemV1.10_15Dec2020.dat +12965 -0
  24. pyEQL/phreeqc/database/Tipping_Hurley.dat +4137 -0
  25. pyEQL/phreeqc/database/__init__.py +0 -0
  26. pyEQL/phreeqc/database/core10.dat +6824 -0
  27. pyEQL/phreeqc/database/frezchem.dat +634 -0
  28. pyEQL/phreeqc/database/iso.dat +7235 -0
  29. pyEQL/phreeqc/database/llnl.dat +19310 -0
  30. pyEQL/phreeqc/database/minteq.dat +5654 -0
  31. pyEQL/phreeqc/database/minteq.v4.dat +13212 -0
  32. pyEQL/phreeqc/database/phreeqc.dat +1972 -0
  33. pyEQL/phreeqc/database/phreeqc_rates.dat +3158 -0
  34. pyEQL/phreeqc/database/pitzer.dat +1044 -0
  35. pyEQL/phreeqc/database/sit.dat +14348 -0
  36. pyEQL/phreeqc/database/wateq4f.dat +4036 -0
  37. pyEQL/phreeqc/ext/README.md +10 -0
  38. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/CMakeLists.txt +476 -0
  39. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/INSTALL +302 -0
  40. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/IPhreeqc.rc +61 -0
  41. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/IPhreeqcConfig.cmake.in +4 -0
  42. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/Makefile.am +8 -0
  43. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/Makefile.in +816 -0
  44. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/aclocal.m4 +1217 -0
  45. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/ALL_BUILD.vcxproj +185 -0
  46. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/ALL_BUILD.vcxproj.filters +8 -0
  47. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/generate.stamp +1 -0
  48. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CMakeFiles/generate.stamp.depend +79 -0
  49. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/CTestTestfile.cmake +6 -0
  50. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Continuous.vcxproj +240 -0
  51. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Continuous.vcxproj.filters +17 -0
  52. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/DartConfiguration.tcl +109 -0
  53. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Experimental.vcxproj +240 -0
  54. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Experimental.vcxproj.filters +17 -0
  55. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/INSTALL.vcxproj +209 -0
  56. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/INSTALL.vcxproj.filters +13 -0
  57. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/CSelectedOutput.obj +0 -0
  58. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Dictionary.obj +0 -0
  59. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/ExchComp.obj +0 -0
  60. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Exchange.obj +0 -0
  61. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/GasComp.obj +0 -0
  62. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/GasPhase.obj +0 -0
  63. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.lib.recipe +11 -0
  64. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.obj +0 -0
  65. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CL.command.1.tlog +0 -0
  66. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CL.read.1.tlog +0 -0
  67. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CL.write.1.tlog +0 -0
  68. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/Cl.items.tlog +82 -0
  69. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CustomBuild.command.1.tlog +10 -0
  70. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CustomBuild.read.1.tlog +78 -0
  71. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/CustomBuild.write.1.tlog +2 -0
  72. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/IPhreeqc.lastbuildstate +2 -0
  73. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/Lib-link.read.1.tlog +0 -0
  74. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/Lib-link.write.1.tlog +0 -0
  75. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc.tlog/Lib.command.1.tlog +0 -0
  76. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqcLib.obj +0 -0
  77. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/IPhreeqc_interface_F.obj +0 -0
  78. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/ISolution.obj +0 -0
  79. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/ISolutionComp.obj +0 -0
  80. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Keywords.obj +0 -0
  81. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/KineticsComp.obj +0 -0
  82. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/NameDouble.obj +0 -0
  83. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/NumKeyword.obj +0 -0
  84. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PBasic.obj +0 -0
  85. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PHRQ_base.obj +0 -0
  86. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PHRQ_io.obj +0 -0
  87. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PHRQ_io_output.obj +0 -0
  88. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PPassemblage.obj +0 -0
  89. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/PPassemblageComp.obj +0 -0
  90. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Parser.obj +0 -0
  91. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Phreeqc.obj +0 -0
  92. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Pressure.obj +0 -0
  93. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Reaction.obj +0 -0
  94. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/ReadClass.obj +0 -0
  95. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SS.obj +0 -0
  96. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SSassemblage.obj +0 -0
  97. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SScomp.obj +0 -0
  98. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SelectedOutput.obj +0 -0
  99. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Serializer.obj +0 -0
  100. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Solution.obj +0 -0
  101. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SolutionIsotope.obj +0 -0
  102. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/StorageBin.obj +0 -0
  103. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/StorageBinList.obj +0 -0
  104. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Surface.obj +0 -0
  105. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SurfaceCharge.obj +0 -0
  106. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/SurfaceComp.obj +0 -0
  107. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/System.obj +0 -0
  108. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Temperature.obj +0 -0
  109. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Use.obj +0 -0
  110. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/UserPunch.obj +0 -0
  111. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Utils.obj +0 -0
  112. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/Var.obj +0 -0
  113. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/advection.obj +0 -0
  114. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/basicsubs.obj +0 -0
  115. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/cl1.obj +0 -0
  116. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/cvdense.obj +0 -0
  117. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/cvode.obj +0 -0
  118. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/cxxKinetics.obj +0 -0
  119. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/cxxMix.obj +0 -0
  120. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/dense.obj +0 -0
  121. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/dumper.obj +0 -0
  122. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/gases.obj +0 -0
  123. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/input.obj +0 -0
  124. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/integrate.obj +0 -0
  125. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/inverse.obj +0 -0
  126. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/isotopes.obj +0 -0
  127. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/kinetics.obj +0 -0
  128. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/mainsubs.obj +0 -0
  129. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/model.obj +0 -0
  130. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/nvector.obj +0 -0
  131. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/nvector_serial.obj +0 -0
  132. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/parse.obj +0 -0
  133. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/phqalloc.obj +0 -0
  134. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/pitzer.obj +0 -0
  135. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/pitzer_structures.obj +0 -0
  136. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/prep.obj +0 -0
  137. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/print.obj +0 -0
  138. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/read.obj +0 -0
  139. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/readtr.obj +0 -0
  140. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/runner.obj +0 -0
  141. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/sit.obj +0 -0
  142. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/smalldense.obj +0 -0
  143. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/spread.obj +0 -0
  144. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/step.obj +0 -0
  145. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/structures.obj +0 -0
  146. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/sundialsmath.obj +0 -0
  147. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/tally.obj +0 -0
  148. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/tidy.obj +0 -0
  149. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/transport.obj +0 -0
  150. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.dir/Release/utilities.obj +0 -0
  151. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.sln +116 -0
  152. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.vcxproj +443 -0
  153. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/IPhreeqc.vcxproj.filters +456 -0
  154. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Nightly.vcxproj +240 -0
  155. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Nightly.vcxproj.filters +17 -0
  156. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/NightlyMemoryCheck.vcxproj +240 -0
  157. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/NightlyMemoryCheck.vcxproj.filters +17 -0
  158. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/Release/IPhreeqc.lib +0 -0
  159. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/build/cmake_install.cmake +40 -0
  160. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/ar-lib +270 -0
  161. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/compile +347 -0
  162. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/config.guess +1441 -0
  163. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/config.sub +1813 -0
  164. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/depcomp +791 -0
  165. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/install-sh +508 -0
  166. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/ltmain.sh +11156 -0
  167. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/missing +215 -0
  168. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/config/test-driver +148 -0
  169. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/configure +23867 -0
  170. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/configure.ac +136 -0
  171. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Amm.dat +1968 -0
  172. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/CMakeLists.txt +32 -0
  173. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/ColdChem.dat +267 -0
  174. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Concrete_PHR.dat +158 -0
  175. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Concrete_PZ.dat +195 -0
  176. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Kinec.v2.dat +12039 -0
  177. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Kinec_v3.dat +12159 -0
  178. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Makefile.am +28 -0
  179. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Makefile.in +530 -0
  180. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/PHREEQC_ThermoddemV1.10_15Dec2020.dat +12965 -0
  181. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/Tipping_Hurley.dat +4137 -0
  182. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/core10.dat +6824 -0
  183. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/frezchem.dat +634 -0
  184. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/iso.dat +7235 -0
  185. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/llnl.dat +19310 -0
  186. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/minteq.dat +5654 -0
  187. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/minteq.v4.dat +13212 -0
  188. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/phreeqc.dat +1972 -0
  189. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/phreeqc_rates.dat +3158 -0
  190. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/pitzer.dat +1044 -0
  191. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/sit.dat +14348 -0
  192. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/database/wateq4f.dat +4036 -0
  193. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/CMakeLists.txt +35 -0
  194. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/IPhreeqc.pdf +0 -0
  195. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/doc/Makefile.am +24 -0
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  389. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Pressure.h +43 -0
  390. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Reaction.cxx +284 -0
  391. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Reaction.h +57 -0
  392. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/ReadClass.cxx +1150 -0
  393. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SS.cxx +609 -0
  394. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SS.h +128 -0
  395. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SSassemblage.cxx +317 -0
  396. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SSassemblage.h +59 -0
  397. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SScomp.cxx +297 -0
  398. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SScomp.h +66 -0
  399. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SelectedOutput.cpp +115 -0
  400. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SelectedOutput.h +209 -0
  401. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Serializer.cxx +213 -0
  402. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Serializer.h +42 -0
  403. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Solution.cxx +1795 -0
  404. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Solution.h +154 -0
  405. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SolutionIsotope.cxx +333 -0
  406. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SolutionIsotope.h +85 -0
  407. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBin.cxx +1507 -0
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  409. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBinList.cpp +358 -0
  410. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/StorageBinList.h +81 -0
  411. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Surface.cxx +837 -0
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  413. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceCharge.cxx +617 -0
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  415. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/SurfaceComp.cxx +509 -0
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  418. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/System.h +89 -0
  419. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Temperature.cxx +423 -0
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  421. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Use.cpp +78 -0
  422. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/Use.h +159 -0
  423. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/UserPunch.cpp +32 -0
  424. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/UserPunch.h +39 -0
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  427. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/basicsubs.cpp +4333 -0
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  429. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_base.cxx +117 -0
  430. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_base.h +48 -0
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  432. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_io.cpp +914 -0
  433. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/PHRQ_io.h +207 -0
  434. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Parser.cxx +1331 -0
  435. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Parser.h +310 -0
  436. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Utils.cxx +263 -0
  437. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/Utils.h +29 -0
  438. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/common/phrqtype.h +18 -0
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  441. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvode.cpp +3939 -0
  442. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cvode.h +940 -0
  443. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxKinetics.cxx +617 -0
  444. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxKinetics.h +78 -0
  445. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxMix.cxx +154 -0
  446. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/cxxMix.h +58 -0
  447. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dense.cpp +175 -0
  448. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dense.h +341 -0
  449. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/dumper.cpp +277 -0
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  451. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/gases.cpp +748 -0
  452. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/global_structures.h +1672 -0
  453. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/input.cpp +133 -0
  454. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/integrate.cpp +1219 -0
  455. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/inverse.cpp +5135 -0
  456. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/isotopes.cpp +1813 -0
  457. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/kinetics.cpp +3180 -0
  458. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/mainsubs.cpp +2320 -0
  459. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/model.cpp +5843 -0
  460. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector.cpp +272 -0
  461. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector.h +485 -0
  462. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector_serial.cpp +1032 -0
  463. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/nvector_serial.h +369 -0
  464. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/parse.cpp +1044 -0
  465. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/phqalloc.cpp +316 -0
  466. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/phqalloc.h +47 -0
  467. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/pitzer.cpp +2709 -0
  468. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/pitzer_structures.cpp +225 -0
  469. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/prep.cpp +6267 -0
  470. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/print.cpp +3673 -0
  471. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/read.cpp +10245 -0
  472. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/readtr.cpp +1495 -0
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  475. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sit.cpp +1684 -0
  476. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/smalldense.cpp +324 -0
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  478. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/spread.cpp +1309 -0
  479. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/step.cpp +1566 -0
  480. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/structures.cpp +3381 -0
  481. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialsmath.cpp +133 -0
  482. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialsmath.h +162 -0
  483. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/sundialstypes.h +183 -0
  484. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/tally.cpp +1288 -0
  485. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/tidy.cpp +5600 -0
  486. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/transport.cpp +6403 -0
  487. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/phreeqcpp/utilities.cpp +1339 -0
  488. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/src/thread.h +64 -0
  489. pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/tests/CMakeLists.txt +133 -0
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  501. pyEQL/phreeqc/solution.py +74 -0
  502. pyEQL/phreeqc/var.py +50 -0
  503. pyEQL/presets/Ringers lactate.yaml +20 -0
  504. pyEQL/presets/__init__.py +17 -0
  505. pyEQL/presets/normal saline.yaml +17 -0
  506. pyEQL/presets/rainwater.yaml +17 -0
  507. pyEQL/presets/seawater.yaml +29 -0
  508. pyEQL/presets/urine.yaml +26 -0
  509. pyEQL/presets/wastewater.yaml +21 -0
  510. pyEQL/py.typed +0 -0
  511. pyEQL/salt_ion_match.py +112 -0
  512. pyEQL/solute.py +163 -0
  513. pyEQL/solution.py +2714 -0
  514. pyEQL/utils.py +237 -0
  515. pyeql-1.4.0rc9.dist-info/METADATA +130 -0
  516. pyeql-1.4.0rc9.dist-info/RECORD +519 -0
  517. pyeql-1.4.0rc9.dist-info/WHEEL +5 -0
  518. pyeql-1.4.0rc9.dist-info/licenses/AUTHORS.md +21 -0
  519. pyeql-1.4.0rc9.dist-info/licenses/LICENSE.txt +20 -0
@@ -0,0 +1,369 @@
1
+ #ifndef _INC_NVECTOR_SERIAL_H
2
+ #define _INC_NVECTOR_SERIAL_H
3
+ /**************************************************************************
4
+ * *
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+ * File : nvector_serial.h *
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+ * Programmers : Scott D. Cohen, Alan C. Hindmarsh, *
7
+ * : Radu Serban, and Allan G. Taylor, LLNL *
8
+ * Version of : 26 June 2002 *
9
+ *------------------------------------------------------------------------*
10
+ * Copyright (c) 2002, The Regents of the University of California *
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+ * Produced at the Lawrence Livermore National Laboratory *
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+ * All rights reserved *
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+ * For details, see LICENSE below *
14
+ *------------------------------------------------------------------------*
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+ * This is the header file for a serial implementation of the *
16
+ * NVECTOR package. *
17
+ * *
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+ * Part I of this file contains declarations which are specific *
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+ * to the particular machine environment in which this version *
20
+ * of the vector package is to be used. This includes the *
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+ * typedef for the 'content' fields of the structures M_Env and *
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+ * N_Vector (M_EnvSerialContent and N_VectorSerialContent, *
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+ * respectively). *
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+ * *
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+ * Part II of this file defines accessor macros that allow the *
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+ * user to use efficiently the type N_Vector without making *
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+ * explicit references to its underlying representation. *
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+ * *
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+ * Part III of this file contains the prototype for the *
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+ * initialization routine specific to this implementation *
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+ * (M_EnvInit_Serial) as well as prototypes for the vector *
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+ * kernels which operate on the serial N_Vector. These *
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+ * prototypes are unique to this particular implementation of *
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+ * the vector package. *
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+ * *
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+ * NOTES: *
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+ * *
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+ * The definitions of the generic M_Env and N_Vector structures *
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+ * are in the header file nvector.h. *
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+ * *
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+ * The definitions of the types realtype and integertype are in *
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+ * the header file sundialstypes.h and these may be changed *
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+ * according to the user's needs. The sundialstypes.h file also *
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+ * contains the definition for the type booleantype. *
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+ * *
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+ * N_Vector arguments to arithmetic kernels need not be *
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+ * distinct. Thus, for example, the call *
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+ * N_VLinearSum_Serial(a,x,b,y,y); y <- ax+by *
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+ * is legal. *
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+ * *
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+ * This version of nvector is for the ordinary sequential *
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+ * machine environment. In the documentation given below, N is *
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+ * the length of all N_Vector parameters and x[i] denotes the *
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+ * ith component of the N_Vector x, where 0 <= i <= N-1. *
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+ * *
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+ *------------------------------------------------------------------------*
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+ * LICENSE *
58
+ *------------------------------------------------------------------------*
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+ * Copyright (c) 2002, The Regents of the University of California. *
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+ * Produced at the Lawrence Livermore National Laboratory. *
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+ * Written by S.D. Cohen, A.C. Hindmarsh, R. Serban, *
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+ * D. Shumaker, and A.G. Taylor. *
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+ * UCRL-CODE-155951 (CVODE) *
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+ * UCRL-CODE-155950 (CVODES) *
65
+ * UCRL-CODE-155952 (IDA) *
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+ * UCRL-CODE-237203 (IDAS) *
67
+ * UCRL-CODE-155953 (KINSOL) *
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+ * All rights reserved. *
69
+ * *
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+ * This file is part of SUNDIALS. *
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+ * *
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+ * Redistribution and use in source and binary forms, with or without *
73
+ * modification, are permitted provided that the following conditions *
74
+ * are met: *
75
+ * *
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+ * 1. Redistributions of source code must retain the above copyright *
77
+ * notice, this list of conditions and the disclaimer below. *
78
+ * *
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+ * 2. Redistributions in binary form must reproduce the above copyright *
80
+ * notice, this list of conditions and the disclaimer (as noted below) *
81
+ * in the documentation and/or other materials provided with the *
82
+ * distribution. *
83
+ * *
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+ * 3. Neither the name of the UC/LLNL nor the names of its contributors *
85
+ * may be used to endorse or promote products derived from this software *
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+ * without specific prior written permission. *
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+ * *
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+ * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS *
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+ * "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT *
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+ * LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS *
91
+ * FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE *
92
+ * REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE U.S. DEPARTMENT OF ENERGY *
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+ * OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, *
94
+ * SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT *
95
+ * LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, *
96
+ * DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY *
97
+ * THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT *
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+ * (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE *
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+ * OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. *
100
+ **************************************************************************/
101
+ #ifndef included_nvector_serial_h
102
+ #define included_nvector_serial_h
103
+
104
+ #include "nvector.h" /* Generic M_Env and N_Vector type definitions */
105
+ #include "sundialstypes.h"
106
+
107
+
108
+ /****************************************************************
109
+ * PART I: *
110
+ * Serial implementation of M_Env and N_Vector *
111
+ ****************************************************************/
112
+
113
+ /* The serial implementation of the machine environment has
114
+ ID tag 'serial' */
115
+ #define ID_TAG_S "serial"
116
+
117
+ /* The serial implementation of the machine environment 'content'
118
+ structure contains the length of vectors */
119
+
120
+ struct _M_EnvSerialContent
121
+ {
122
+ integertype length;
123
+ };
124
+
125
+ typedef struct _M_EnvSerialContent *M_EnvSerialContent;
126
+
127
+ /* The serial implementation of the N_Vector 'content'
128
+ structure contains the length of the vector and a pointer
129
+ to an array of realtype components */
130
+
131
+ struct _N_VectorSerialContent
132
+ {
133
+ integertype length;
134
+ realtype *data;
135
+ };
136
+
137
+ typedef struct _N_VectorSerialContent *N_VectorSerialContent;
138
+
139
+ /****************************************************************
140
+ * *
141
+ * PART II: Macros *
142
+ * NV_MAKE_S, NV_DISPOSE_S, NVS_MAKE_S, NVS_DISPOSE_S *
143
+ * ME_CONTENT_S, NV_CONTENT_S *
144
+ * NV_DATA_S, NV_LENGTH_S, NV_Ith_S *
145
+ *--------------------------------------------------------------*
146
+ * In the descriptions below, the following user declarations *
147
+ * are assumed: *
148
+ * *
149
+ * M_Env machenv; *
150
+ * N_Vector v, *vs; *
151
+ * realtype *v_data, **vs_data, r; *
152
+ * integertype v_len, s_len, i; *
153
+ * *
154
+ * (1) NV_MAKE_S, NV_DISPOSE_S *
155
+ * *
156
+ * These companion routines are used to create and *
157
+ * destroy an N_Vector with a component array v_data *
158
+ * allocated by the user. *
159
+ * *
160
+ * The call NV_MAKE_S(v, v_data, machenv) makes v an *
161
+ * N_Vector with component array v_data. The length of the *
162
+ * array is taken from machenv. *
163
+ * NV_MAKE_S stores the pointer v_data so that changes *
164
+ * made by the user to the elements of v_data are *
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+ * simultaneously reflected in v. There is no copying of *
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+ * elements. *
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+ * *
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+ * The call NV_DISPOSE_S(v) frees all memory associated *
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+ * with v except for its component array. This memory was *
170
+ * allocated by the user and, therefore, should be *
171
+ * deallocated by the user. *
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+ * *
173
+ * (2) NVS_MAKE_S, NVS_DISPOSE_S *
174
+ * *
175
+ * These companion routines are used to create and destroy *
176
+ * an array of N_Vectors with component vs_data allocated *
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+ * by the user. *
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+ * *
179
+ * The call NVS_MAKE_S(vs, vs_data, s_len, machenv) makes *
180
+ * vs an array of s_len N_Vectors, each with component *
181
+ * array vs_data[i] and array length taken from machenv. *
182
+ * NVS_MAKE_S stores the pointers vs_data[i] so that *
183
+ * changes made by the user to the elements of vs_data are *
184
+ * simultaneously reflected in vs. There is no copying of *
185
+ * elements. *
186
+ * *
187
+ * The call NVS_DISPOSE_S(vs) frees all memory associated *
188
+ * with vs except for its components' component array. *
189
+ * This memory was allocated by the user and, therefore, *
190
+ * should be deallocated by the user. *
191
+ * *
192
+ * (3) ME_CONTENT_S, NV_CONTENT_S *
193
+ * *
194
+ * These routines give access to the contents of the serial *
195
+ * machine environment and N_Vector, respectively. *
196
+ * *
197
+ * The assignment m_cont = ME_CONTENT_S(machenv) sets *
198
+ * m_cont to be a pointer to the serial machine *
199
+ * environment content structure. *
200
+ * *
201
+ * The assignment v_cont = NV_CONTENT_S(v) sets *
202
+ * v_cont to be a pointer to the serial N_Vector content *
203
+ * structure. *
204
+ * *
205
+ * (4) NV_DATA_S, NV_LENGTH_S *
206
+ * *
207
+ * These routines give individual access to the parts of *
208
+ * the content of a serial N_Vector. *
209
+ * *
210
+ * The assignment v_data=NV_DATA_S(v) sets v_data to be *
211
+ * a pointer to the first component of v. The assignment *
212
+ * NV_DATA_S(v)=v_data sets the component array of v to *
213
+ * be v_data by storing the pointer v_data. *
214
+ * *
215
+ * The assignment v_len=NV_LENGTH_S(v) sets v_len to be *
216
+ * the length of v. The call NV_LENGTH_S(v)=len_v sets *
217
+ * the length of v to be len_v. *
218
+ * *
219
+ * (5) NV_Ith_S *
220
+ * *
221
+ * In the following description, the components of an *
222
+ * N_Vector are numbered 0..N-1, where N is the length of *
223
+ * v. *
224
+ * *
225
+ * The assignment r=NV_Ith_S(v,i) sets r to be the value of *
226
+ * the ith component of v. The assignment NV_Ith_S(v,i)=r *
227
+ * sets the value of the ith component of v to be r. *
228
+ * *
229
+ * Notes.. *
230
+ * *
231
+ * Users who use the macros (1) and/or (2) must *
232
+ * #include<stdlib.h> since these macros expand to calls to *
233
+ * malloc and free. *
234
+ * *
235
+ * When looping over the components of an N_Vector v, it is *
236
+ * more efficient to first obtain the component array via *
237
+ * v_data=NV_DATA_S(v) and then access v_data[i] within the *
238
+ * loop than it is to use NV_Ith_S(v,i) within the loop. *
239
+ * *
240
+ * NV_MAKE_S and NV_DISPOSE_S are similar to N_VNew_Serial and *
241
+ * N_VFree_Serial, while NVS_MAKE_S and NVS_DISPOSE_S are *
242
+ * similar to N_VNew_S_Serial and N_VFree_S_Serial. The *
243
+ * difference is one of responsibility for component memory *
244
+ * allocation and deallocation. N_VNew_Serial allocates memory *
245
+ * for the N_Vector components and N_VFree_Serial frees the *
246
+ * component memory allocated by N_VNew_Serial. For NV_MAKE_S *
247
+ * and NV_DISPOSE_S, the component memory is allocated and *
248
+ * freed by the user of this package. Similar remarks hold for *
249
+ * NVS_MAKE_S, NVS_DISPOSE_S and N_VNew_S_Serial, *
250
+ * N_VFree_S_Serial. *
251
+ * *
252
+ ****************************************************************/
253
+
254
+ #define NV_MAKE_S(v, v_data, machenv) \
255
+ v = (N_Vector) malloc(sizeof(*v)); \
256
+ v->content = (N_VectorSerialContent) malloc(sizeof(struct _N_VectorSerialContent)); \
257
+ v->content->data = v_data; \
258
+ v->content->length = machenv->content->v_len; \
259
+ v->menv = machenv
260
+
261
+ #define NV_DISPOSE_S(v) \
262
+ PHRQ_free((N_VectorSerialContent)(v->content)); \
263
+ PHRQ_free(v)
264
+
265
+ #define NVS_MAKE_S(vs, vs_data, s_len, machenv) \
266
+ vs = (N_Vector_S) malloc(s_len*sizeof(N_Vector *)); \
267
+ for ((int)is=0; is<s_len; is++) { \
268
+ NV_MAKE_S(vs[is], vs_data[is], machenv); \
269
+ }
270
+ #define NVS_DISPOSE_S(vs, s_len) \
271
+ for ((int)is=0; is<s_len; is++) NV_DISPOSE_S(vs[i]); \
272
+ free(vs);
273
+
274
+ #define ME_CONTENT_S(m) ( (M_EnvSerialContent)(m->content) )
275
+
276
+ #define NV_CONTENT_S(v) ( (N_VectorSerialContent)(v->content) )
277
+
278
+ #define NV_LENGTH_S(v) ( NV_CONTENT_S(v)->length )
279
+
280
+ #define NV_DATA_S(v) ( NV_CONTENT_S(v)->data )
281
+
282
+ #define NV_Ith_S(v,i) ( NV_DATA_S(v)[i] )
283
+
284
+
285
+ /****************************************************************
286
+ * PART III: *
287
+ * Functions exported by nvector_serial *
288
+ ****************************************************************/
289
+
290
+ /*--------------------------------------------------------------*
291
+ * Routine : M_EnvInit_Serial *
292
+ *--------------------------------------------------------------*
293
+ * This function sets the content field of the machine *
294
+ * environment for the serial implementation to a structure of *
295
+ * type _MEnvSerialContent and attaches the vector operations *
296
+ * defined for this implementation. *
297
+ * *
298
+ * If successful, M_EnvInit_Serial returns a pointer of type *
299
+ * M_Env. This pointer should in turn be passed in any user *
300
+ * calls to N_VNew, or uses of the macros NV_MAKE_S and *
301
+ * NVS_MAKE_S. *
302
+ * *
303
+ *--------------------------------------------------------------*
304
+ * *
305
+ * vec_length is the length of the vector. *
306
+ * *
307
+ *--------------------------------------------------------------*/
308
+
309
+ M_Env M_EnvInit_Serial(integertype vec_length);
310
+
311
+ /*--------------------------------------------------------------*
312
+ * Function M_EnvFree_Serial *
313
+ *--------------------------------------------------------------*
314
+ * Function to free the block of machine-dependent environment *
315
+ * information created by M_EnvInit_Serial. *
316
+ * Its only argument is the pointer machenv returned by *
317
+ * M_EnvInit_Serial. *
318
+ * *
319
+ *--------------------------------------------------------------*/
320
+
321
+ void M_EnvFree_Serial(M_Env machenv);
322
+
323
+ /*--------------------------------------------------------------*
324
+ * Serial implementations of the vector operations *
325
+ * *
326
+ * For a complete description of each of the following routines *
327
+ * see the header file nvector.h *
328
+ *--------------------------------------------------------------*/
329
+
330
+ N_Vector N_VNew_Serial(integertype n, M_Env machEnv);
331
+ N_Vector_S N_VNew_S_Serial(integertype ns, integertype n, M_Env machEnv);
332
+ void N_VFree_Serial(N_Vector v);
333
+ void N_VFree_S_Serial(integertype ns, N_Vector_S vs);
334
+ N_Vector N_VMake_Serial(integertype n, realtype * v_data, M_Env machEnv);
335
+ void N_VDispose_Serial(N_Vector v);
336
+ realtype *N_VGetData_Serial(N_Vector v);
337
+ void N_VSetData_Serial(realtype * v_data, N_Vector v);
338
+ void N_VLinearSum_Serial(realtype a, N_Vector x, realtype b, N_Vector y,
339
+ N_Vector z);
340
+ void N_VConst_Serial(realtype c, N_Vector z);
341
+ void N_VProd_Serial(N_Vector x, N_Vector y, N_Vector z);
342
+ void N_VDiv_Serial(N_Vector x, N_Vector y, N_Vector z);
343
+ void N_VScale_Serial(realtype c, N_Vector x, N_Vector z);
344
+ void N_VAbs_Serial(N_Vector x, N_Vector z);
345
+ void N_VInv_Serial(N_Vector x, N_Vector z);
346
+ void N_VAddConst_Serial(N_Vector x, realtype b, N_Vector z);
347
+ realtype N_VDotProd_Serial(N_Vector x, N_Vector y);
348
+ realtype N_VMaxNorm_Serial(N_Vector x);
349
+ realtype N_VWrmsNorm_Serial(N_Vector x, N_Vector w);
350
+ realtype N_VMin_Serial(N_Vector x);
351
+ realtype N_VWL2Norm_Serial(N_Vector x, N_Vector w);
352
+ realtype N_VL1Norm_Serial(N_Vector x);
353
+ void N_VOneMask_Serial(N_Vector x);
354
+ void N_VCompare_Serial(realtype c, N_Vector x, N_Vector z);
355
+ booleantype N_VInvTest_Serial(N_Vector x, N_Vector z);
356
+ booleantype N_VConstrProdPos_Serial(N_Vector c, N_Vector x);
357
+ booleantype N_VConstrMask_Serial(N_Vector c, N_Vector x, N_Vector m);
358
+ realtype N_VMinQuotient_Serial(N_Vector num, N_Vector denom);
359
+ void N_VPrint_Serial(N_Vector x);
360
+
361
+
362
+
363
+ #endif
364
+ /*
365
+ #ifdef __cplusplus
366
+ }
367
+ #endif
368
+ */
369
+ #endif /* _INC_NVECTOR_SERIAL_H */