mirror of
https://git.gfz-potsdam.de/naaice/iphreeqc.git
synced 2025-12-16 16:44:49 +01:00
removed c com fortran
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@5244 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
parent
ed93e89916
commit
7aa606a511
@ -1,72 +0,0 @@
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#include <stdio.h>
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#include <stdlib.h>
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#include <string.h>
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#include <IPhreeqc.h>
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int id;
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int vt[7];
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double dv[7];
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char sv[7][100];
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char buffer[100];
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void ExtractWrite(int cell)
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{
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VAR v;
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int j;
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VarInit(&v);
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for (j = 0; j < 7; ++j) {
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GetSelectedOutputValue(id, 1, j, &v);
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vt[j] = v.type;
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switch (vt[j]) {
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case TT_DOUBLE:
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dv[j] = v.dVal;
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sprintf(sv[j], "%23.15e", v.dVal);
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break;
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case TT_STRING:
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strcpy(sv[j], v.sVal);
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break;
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}
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VarClear(&v);
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}
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printf("Cell %d \n\tpH: %4.2f\tSR(calcite): %4.2f\n", cell, dv[5], dv[6]);
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}
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void EHandler(void)
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{
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OutputErrorString(id);
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exit(EXIT_FAILURE);
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}
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const char *ConCat(const char *str1, const char *str2)
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{
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strcpy(buffer, str1);
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return strcat(buffer, str2);
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}
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int main(void)
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{
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/* Create module, load database, define initial conditions and selected output */
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id = CreateIPhreeqc();
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if (LoadDatabase(id, "phreeqc.dat") != 0) EHandler();
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if (RunFile(id, "ic") != 0) EHandler();
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/* Run cell 1, extract/write result */
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if (RunString(id, "RUN_CELLS; -cells; 1; END") != 0) EHandler();
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ExtractWrite(1);
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/* Advect cell 1 solution to cell 2, run cell 2, extract/write results */
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AccumulateLine(id, ConCat("SOLUTION_MODIFY 2", "" ));
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AccumulateLine(id, ConCat(" -cb ", sv[0]));
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AccumulateLine(id, ConCat(" -total_h ", sv[1]));
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AccumulateLine(id, ConCat(" -total_o ", sv[2]));
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AccumulateLine(id, ConCat(" -totals ", "" ));
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AccumulateLine(id, ConCat(" C ", sv[3]));
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AccumulateLine(id, ConCat(" Ca ", sv[4]));
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AccumulateLine(id, ConCat("RUN_CELLS; -cells; 2; END", "" ));
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if (RunAccumulated(id) != 0) EHandler();
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ExtractWrite(2);
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/* Destroy module */
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if (DestroyIPhreeqc(id) != IPQ_OK) EHandler();
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exit(EXIT_SUCCESS);
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}
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@ -1,26 +0,0 @@
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Microsoft Visual Studio Solution File, Format Version 9.00
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||||||
# Visual Studio 2005
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Project("{8BC9CEB8-8B4A-11D0-8D11-00A0C91BC942}") = "advect_c", "advect_c.vcproj", "{BD883425-1DD0-466A-911B-32AD6D4CE262}"
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EndProject
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Global
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GlobalSection(SolutionConfigurationPlatforms) = preSolution
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Debug|Win32 = Debug|Win32
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DebugDll|Win32 = DebugDll|Win32
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Release|Win32 = Release|Win32
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ReleaseDll|Win32 = ReleaseDll|Win32
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EndGlobalSection
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GlobalSection(ProjectConfigurationPlatforms) = postSolution
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{BD883425-1DD0-466A-911B-32AD6D4CE262}.Debug|Win32.ActiveCfg = Debug|Win32
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||||||
{BD883425-1DD0-466A-911B-32AD6D4CE262}.Debug|Win32.Build.0 = Debug|Win32
|
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{BD883425-1DD0-466A-911B-32AD6D4CE262}.DebugDll|Win32.ActiveCfg = DebugDll|Win32
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{BD883425-1DD0-466A-911B-32AD6D4CE262}.DebugDll|Win32.Build.0 = DebugDll|Win32
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{BD883425-1DD0-466A-911B-32AD6D4CE262}.Release|Win32.ActiveCfg = Release|Win32
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{BD883425-1DD0-466A-911B-32AD6D4CE262}.Release|Win32.Build.0 = Release|Win32
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{BD883425-1DD0-466A-911B-32AD6D4CE262}.ReleaseDll|Win32.ActiveCfg = ReleaseDll|Win32
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{BD883425-1DD0-466A-911B-32AD6D4CE262}.ReleaseDll|Win32.Build.0 = ReleaseDll|Win32
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EndGlobalSection
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GlobalSection(SolutionProperties) = preSolution
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HideSolutionNode = FALSE
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EndGlobalSection
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EndGlobal
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@ -1,359 +0,0 @@
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<?xml version="1.0" encoding="Windows-1252"?>
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<VisualStudioProject
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ProjectType="Visual C++"
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Version="8.00"
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Name="advect_c"
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ProjectGUID="{BD883425-1DD0-466A-911B-32AD6D4CE262}"
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RootNamespace="advect_c"
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Keyword="Win32Proj"
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>
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<Platforms>
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||||||
<Platform
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||||||
Name="Win32"
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||||||
/>
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||||||
</Platforms>
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||||||
<ToolFiles>
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|
||||||
</ToolFiles>
|
|
||||||
<Configurations>
|
|
||||||
<Configuration
|
|
||||||
Name="Debug|Win32"
|
|
||||||
OutputDirectory="$(SolutionDir)$(ConfigurationName)"
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||||||
IntermediateDirectory="$(ConfigurationName)"
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||||||
ConfigurationType="1"
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|
||||||
CharacterSet="1"
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|
||||||
>
|
|
||||||
<Tool
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|
||||||
Name="VCPreBuildEventTool"
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||||||
/>
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|
||||||
<Tool
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|
||||||
Name="VCCustomBuildTool"
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|
||||||
/>
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|
||||||
<Tool
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|
||||||
Name="VCXMLDataGeneratorTool"
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|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCWebServiceProxyGeneratorTool"
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|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCMIDLTool"
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|
||||||
/>
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|
||||||
<Tool
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||||||
Name="VCCLCompilerTool"
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Optimization="0"
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||||||
AdditionalIncludeDirectories=""$(DEV_IPHREEQC)/include""
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PreprocessorDefinitions="WIN32;_DEBUG;_CONSOLE;_CRT_SECURE_NO_WARNINGS"
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||||||
MinimalRebuild="true"
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|
||||||
BasicRuntimeChecks="3"
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||||||
RuntimeLibrary="1"
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|
||||||
UsePrecompiledHeader="0"
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|
||||||
WarningLevel="3"
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|
||||||
Detect64BitPortabilityProblems="true"
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|
||||||
DebugInformationFormat="4"
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|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCManagedResourceCompilerTool"
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|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCResourceCompilerTool"
|
|
||||||
/>
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|
||||||
<Tool
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|
||||||
Name="VCPreLinkEventTool"
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||||||
/>
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||||||
<Tool
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Name="VCLinkerTool"
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AdditionalDependencies="IPhreeqcd.lib"
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LinkIncremental="2"
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||||||
AdditionalLibraryDirectories=""$(DEV_IPHREEQC)\lib""
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GenerateDebugInformation="true"
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|
||||||
SubSystem="1"
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|
||||||
TargetMachine="1"
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|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCALinkTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCManifestTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCXDCMakeTool"
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|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCBscMakeTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCFxCopTool"
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|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCAppVerifierTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCWebDeploymentTool"
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|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCPostBuildEventTool"
|
|
||||||
/>
|
|
||||||
</Configuration>
|
|
||||||
<Configuration
|
|
||||||
Name="Release|Win32"
|
|
||||||
OutputDirectory="$(SolutionDir)$(ConfigurationName)"
|
|
||||||
IntermediateDirectory="$(ConfigurationName)"
|
|
||||||
ConfigurationType="1"
|
|
||||||
CharacterSet="1"
|
|
||||||
WholeProgramOptimization="1"
|
|
||||||
>
|
|
||||||
<Tool
|
|
||||||
Name="VCPreBuildEventTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCCustomBuildTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCXMLDataGeneratorTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCWebServiceProxyGeneratorTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCMIDLTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCCLCompilerTool"
|
|
||||||
AdditionalIncludeDirectories=""$(DEV_IPHREEQC)/include""
|
|
||||||
PreprocessorDefinitions="WIN32;NDEBUG;_CONSOLE;_CRT_SECURE_NO_WARNINGS"
|
|
||||||
RuntimeLibrary="0"
|
|
||||||
UsePrecompiledHeader="0"
|
|
||||||
WarningLevel="3"
|
|
||||||
Detect64BitPortabilityProblems="true"
|
|
||||||
DebugInformationFormat="3"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCManagedResourceCompilerTool"
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|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCResourceCompilerTool"
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|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCPreLinkEventTool"
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|
||||||
/>
|
|
||||||
<Tool
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|
||||||
Name="VCLinkerTool"
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|
||||||
AdditionalDependencies="IPhreeqc.lib"
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|
||||||
LinkIncremental="1"
|
|
||||||
AdditionalLibraryDirectories=""$(DEV_IPHREEQC)\lib""
|
|
||||||
GenerateDebugInformation="true"
|
|
||||||
SubSystem="1"
|
|
||||||
OptimizeReferences="2"
|
|
||||||
EnableCOMDATFolding="2"
|
|
||||||
TargetMachine="1"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCALinkTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCManifestTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCXDCMakeTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCBscMakeTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCFxCopTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCAppVerifierTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCWebDeploymentTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCPostBuildEventTool"
|
|
||||||
/>
|
|
||||||
</Configuration>
|
|
||||||
<Configuration
|
|
||||||
Name="ReleaseDll|Win32"
|
|
||||||
OutputDirectory="$(SolutionDir)$(ConfigurationName)"
|
|
||||||
IntermediateDirectory="$(ConfigurationName)"
|
|
||||||
ConfigurationType="1"
|
|
||||||
CharacterSet="1"
|
|
||||||
WholeProgramOptimization="1"
|
|
||||||
>
|
|
||||||
<Tool
|
|
||||||
Name="VCPreBuildEventTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCCustomBuildTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCXMLDataGeneratorTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCWebServiceProxyGeneratorTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCMIDLTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCCLCompilerTool"
|
|
||||||
AdditionalIncludeDirectories=""$(DEV_IPHREEQC)/include""
|
|
||||||
PreprocessorDefinitions="WIN32;NDEBUG;_CONSOLE;_CRT_SECURE_NO_WARNINGS"
|
|
||||||
RuntimeLibrary="2"
|
|
||||||
UsePrecompiledHeader="0"
|
|
||||||
WarningLevel="3"
|
|
||||||
Detect64BitPortabilityProblems="true"
|
|
||||||
DebugInformationFormat="3"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCManagedResourceCompilerTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCResourceCompilerTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCPreLinkEventTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCLinkerTool"
|
|
||||||
AdditionalDependencies="IPhreeqc.lib"
|
|
||||||
LinkIncremental="1"
|
|
||||||
AdditionalLibraryDirectories=""$(DEV_IPHREEQC)\dll""
|
|
||||||
GenerateDebugInformation="true"
|
|
||||||
SubSystem="1"
|
|
||||||
OptimizeReferences="2"
|
|
||||||
EnableCOMDATFolding="2"
|
|
||||||
TargetMachine="1"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCALinkTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCManifestTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCXDCMakeTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCBscMakeTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCFxCopTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCAppVerifierTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCWebDeploymentTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCPostBuildEventTool"
|
|
||||||
/>
|
|
||||||
</Configuration>
|
|
||||||
<Configuration
|
|
||||||
Name="DebugDll|Win32"
|
|
||||||
OutputDirectory="$(SolutionDir)$(ConfigurationName)"
|
|
||||||
IntermediateDirectory="$(ConfigurationName)"
|
|
||||||
ConfigurationType="1"
|
|
||||||
CharacterSet="1"
|
|
||||||
>
|
|
||||||
<Tool
|
|
||||||
Name="VCPreBuildEventTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCCustomBuildTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCXMLDataGeneratorTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCWebServiceProxyGeneratorTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCMIDLTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCCLCompilerTool"
|
|
||||||
Optimization="0"
|
|
||||||
AdditionalIncludeDirectories=""$(DEV_IPHREEQC)/include""
|
|
||||||
PreprocessorDefinitions="WIN32;_DEBUG;_CONSOLE;_CRT_SECURE_NO_WARNINGS"
|
|
||||||
MinimalRebuild="true"
|
|
||||||
BasicRuntimeChecks="3"
|
|
||||||
RuntimeLibrary="3"
|
|
||||||
UsePrecompiledHeader="0"
|
|
||||||
WarningLevel="3"
|
|
||||||
Detect64BitPortabilityProblems="true"
|
|
||||||
DebugInformationFormat="4"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCManagedResourceCompilerTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCResourceCompilerTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCPreLinkEventTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCLinkerTool"
|
|
||||||
AdditionalDependencies="IPhreeqcd.lib"
|
|
||||||
LinkIncremental="2"
|
|
||||||
AdditionalLibraryDirectories=""$(DEV_IPHREEQC)\dll""
|
|
||||||
GenerateDebugInformation="true"
|
|
||||||
SubSystem="1"
|
|
||||||
TargetMachine="1"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCALinkTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCManifestTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCXDCMakeTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCBscMakeTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCFxCopTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCAppVerifierTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCWebDeploymentTool"
|
|
||||||
/>
|
|
||||||
<Tool
|
|
||||||
Name="VCPostBuildEventTool"
|
|
||||||
/>
|
|
||||||
</Configuration>
|
|
||||||
</Configurations>
|
|
||||||
<References>
|
|
||||||
</References>
|
|
||||||
<Files>
|
|
||||||
<Filter
|
|
||||||
Name="Source Files"
|
|
||||||
Filter="cpp;c;cc;cxx;def;odl;idl;hpj;bat;asm;asmx"
|
|
||||||
UniqueIdentifier="{4FC737F1-C7A5-4376-A066-2A32D752A2FF}"
|
|
||||||
>
|
|
||||||
<File
|
|
||||||
RelativePath=".\advect.c"
|
|
||||||
>
|
|
||||||
</File>
|
|
||||||
</Filter>
|
|
||||||
<Filter
|
|
||||||
Name="Header Files"
|
|
||||||
Filter="h;hpp;hxx;hm;inl;inc;xsd"
|
|
||||||
UniqueIdentifier="{93995380-89BD-4b04-88EB-625FBE52EBFB}"
|
|
||||||
>
|
|
||||||
</Filter>
|
|
||||||
<Filter
|
|
||||||
Name="Resource Files"
|
|
||||||
Filter="rc;ico;cur;bmp;dlg;rc2;rct;bin;rgs;gif;jpg;jpeg;jpe;resx;tiff;tif;png;wav"
|
|
||||||
UniqueIdentifier="{67DA6AB6-F800-4c08-8B7A-83BB121AAD01}"
|
|
||||||
>
|
|
||||||
</Filter>
|
|
||||||
</Files>
|
|
||||||
<Globals>
|
|
||||||
</Globals>
|
|
||||||
</VisualStudioProject>
|
|
||||||
@ -1,121 +0,0 @@
|
|||||||
<?xml version="1.0" encoding="Windows-1252"?>
|
|
||||||
<VisualStudioUserFile
|
|
||||||
ProjectType="Visual C++"
|
|
||||||
Version="8.00"
|
|
||||||
ShowAllFiles="false"
|
|
||||||
>
|
|
||||||
<Configurations>
|
|
||||||
<Configuration
|
|
||||||
Name="Debug|Win32"
|
|
||||||
>
|
|
||||||
<DebugSettings
|
|
||||||
Command="$(TargetPath)"
|
|
||||||
WorkingDirectory=""
|
|
||||||
CommandArguments=""
|
|
||||||
Attach="false"
|
|
||||||
DebuggerType="3"
|
|
||||||
Remote="1"
|
|
||||||
RemoteMachine="IGSKAHHWWSNY5H1"
|
|
||||||
RemoteCommand=""
|
|
||||||
HttpUrl=""
|
|
||||||
PDBPath=""
|
|
||||||
SQLDebugging=""
|
|
||||||
Environment=""
|
|
||||||
EnvironmentMerge="true"
|
|
||||||
DebuggerFlavor=""
|
|
||||||
MPIRunCommand=""
|
|
||||||
MPIRunArguments=""
|
|
||||||
MPIRunWorkingDirectory=""
|
|
||||||
ApplicationCommand=""
|
|
||||||
ApplicationArguments=""
|
|
||||||
ShimCommand=""
|
|
||||||
MPIAcceptMode=""
|
|
||||||
MPIAcceptFilter=""
|
|
||||||
/>
|
|
||||||
</Configuration>
|
|
||||||
<Configuration
|
|
||||||
Name="Release|Win32"
|
|
||||||
>
|
|
||||||
<DebugSettings
|
|
||||||
Command="$(TargetPath)"
|
|
||||||
WorkingDirectory=""
|
|
||||||
CommandArguments=""
|
|
||||||
Attach="false"
|
|
||||||
DebuggerType="3"
|
|
||||||
Remote="1"
|
|
||||||
RemoteMachine="IGSKAHHWWSNY5H1"
|
|
||||||
RemoteCommand=""
|
|
||||||
HttpUrl=""
|
|
||||||
PDBPath=""
|
|
||||||
SQLDebugging=""
|
|
||||||
Environment=""
|
|
||||||
EnvironmentMerge="true"
|
|
||||||
DebuggerFlavor=""
|
|
||||||
MPIRunCommand=""
|
|
||||||
MPIRunArguments=""
|
|
||||||
MPIRunWorkingDirectory=""
|
|
||||||
ApplicationCommand=""
|
|
||||||
ApplicationArguments=""
|
|
||||||
ShimCommand=""
|
|
||||||
MPIAcceptMode=""
|
|
||||||
MPIAcceptFilter=""
|
|
||||||
/>
|
|
||||||
</Configuration>
|
|
||||||
<Configuration
|
|
||||||
Name="ReleaseDll|Win32"
|
|
||||||
>
|
|
||||||
<DebugSettings
|
|
||||||
Command="$(TargetPath)"
|
|
||||||
WorkingDirectory=""
|
|
||||||
CommandArguments=""
|
|
||||||
Attach="false"
|
|
||||||
DebuggerType="3"
|
|
||||||
Remote="1"
|
|
||||||
RemoteMachine="IGSKAHHWWSNY5H1"
|
|
||||||
RemoteCommand=""
|
|
||||||
HttpUrl=""
|
|
||||||
PDBPath=""
|
|
||||||
SQLDebugging=""
|
|
||||||
Environment=""
|
|
||||||
EnvironmentMerge="true"
|
|
||||||
DebuggerFlavor=""
|
|
||||||
MPIRunCommand=""
|
|
||||||
MPIRunArguments=""
|
|
||||||
MPIRunWorkingDirectory=""
|
|
||||||
ApplicationCommand=""
|
|
||||||
ApplicationArguments=""
|
|
||||||
ShimCommand=""
|
|
||||||
MPIAcceptMode=""
|
|
||||||
MPIAcceptFilter=""
|
|
||||||
/>
|
|
||||||
</Configuration>
|
|
||||||
<Configuration
|
|
||||||
Name="DebugDll|Win32"
|
|
||||||
>
|
|
||||||
<DebugSettings
|
|
||||||
Command="$(TargetPath)"
|
|
||||||
WorkingDirectory=""
|
|
||||||
CommandArguments=""
|
|
||||||
Attach="false"
|
|
||||||
DebuggerType="3"
|
|
||||||
Remote="1"
|
|
||||||
RemoteMachine="IGSKAHHWWSNY5H1"
|
|
||||||
RemoteCommand=""
|
|
||||||
HttpUrl=""
|
|
||||||
PDBPath=""
|
|
||||||
SQLDebugging=""
|
|
||||||
Environment=""
|
|
||||||
EnvironmentMerge="true"
|
|
||||||
DebuggerFlavor=""
|
|
||||||
MPIRunCommand=""
|
|
||||||
MPIRunArguments=""
|
|
||||||
MPIRunWorkingDirectory=""
|
|
||||||
ApplicationCommand=""
|
|
||||||
ApplicationArguments=""
|
|
||||||
ShimCommand=""
|
|
||||||
MPIAcceptMode=""
|
|
||||||
MPIAcceptFilter=""
|
|
||||||
/>
|
|
||||||
</Configuration>
|
|
||||||
</Configurations>
|
|
||||||
</VisualStudioUserFile>
|
|
||||||
@ -1,16 +0,0 @@
|
|||||||
# File ic
|
|
||||||
SOLUTION 1-2
|
|
||||||
END
|
|
||||||
EQUILIBRIUM_PHASES 1
|
|
||||||
CO2(g) -1.5 10
|
|
||||||
|
|
||||||
EQUILIBRIUM_PHASES 2
|
|
||||||
Calcite 0 10
|
|
||||||
SELECTED_OUTPUT
|
|
||||||
-reset false
|
|
||||||
USER_PUNCH
|
|
||||||
-Heading charge H O C Ca pH SR(calcite)
|
|
||||||
10 PUNCH charge_balance
|
|
||||||
20 PUNCH TOTMOLE("H"), TOTMOLE("O"), TOTMOLE("C"), TOTMOLE("Ca")
|
|
||||||
30 PUNCH -LA("H+"), SR("calcite")
|
|
||||||
END
|
|
||||||
File diff suppressed because it is too large
Load Diff
Binary file not shown.
@ -1,52 +0,0 @@
|
|||||||
"""Compares gypsum solubility for WATEQ4F and Pitzer databases.
|
|
||||||
"""
|
|
||||||
# Import standard library modules first.
|
|
||||||
import os
|
|
||||||
# Then get third party modules.
|
|
||||||
from win32com.client import Dispatch
|
|
||||||
import matplotlib.pyplot as plt
|
|
||||||
|
|
||||||
def selected_array(db_path, input_string):
|
|
||||||
"""Load database via COM and run input string.
|
|
||||||
"""
|
|
||||||
dbase = Dispatch('IPhreeqcCOM.Object')
|
|
||||||
dbase.LoadDatabase(db_path)
|
|
||||||
dbase.RunString(input_string)
|
|
||||||
return dbase.GetSelectedOutputArray()
|
|
||||||
|
|
||||||
def show_results(input_string):
|
|
||||||
"""Get results for different databases
|
|
||||||
"""
|
|
||||||
wateq4f_result = selected_array('wateq4f.dat', input_string)
|
|
||||||
pitzer_result = selected_array('pitzer.dat', input_string)
|
|
||||||
# Get data from the arrays.
|
|
||||||
nacl_conc = [entry[0] for entry in wateq4f_result][1:]
|
|
||||||
wateq4f_values = [entry[1] for entry in wateq4f_result][1:]
|
|
||||||
pitzer_values = [entry[1] for entry in pitzer_result][1:]
|
|
||||||
# Plot
|
|
||||||
plt.plot(nacl_conc, pitzer_values, 'k', nacl_conc, wateq4f_values,'k--')
|
|
||||||
plt.axis([0, 6, 0, .06])
|
|
||||||
plt.legend(('PITZER','WATEQ4F'), loc = (0.4, 0.4))
|
|
||||||
plt.ylabel('GYPSUM SOLUBILITY, MOLES PER KILOGRAM WATER')
|
|
||||||
plt.xlabel('NaCl, MOLES PER KILOGRAM WATER')
|
|
||||||
plt.savefig("Figure2.png")
|
|
||||||
plt.show()
|
|
||||||
|
|
||||||
if __name__ == '__main__':
|
|
||||||
# This will only run when called as script from the command line
|
|
||||||
# and not when imported from another script.
|
|
||||||
INPUT_STRING = """
|
|
||||||
SOLUTION 1
|
|
||||||
END
|
|
||||||
INCREMENTAL_REACTIONS
|
|
||||||
REACTION
|
|
||||||
NaCl 1.0
|
|
||||||
0 60*0.1 moles
|
|
||||||
EQUILIBRIUM_PHASES
|
|
||||||
Gypsum
|
|
||||||
USE solution 1
|
|
||||||
SELECTED_OUTPUT
|
|
||||||
-reset false
|
|
||||||
-total Na S(6)
|
|
||||||
END"""
|
|
||||||
show_results(INPUT_STRING)
|
|
||||||
@ -1,63 +0,0 @@
|
|||||||
implicit none
|
|
||||||
include "IPhreeqc.f90.inc"
|
|
||||||
integer Errors, i, iresult, vtype
|
|
||||||
character(len=1024) Istring
|
|
||||||
character(len=30) svalue
|
|
||||||
double precision, dimension(0:6) :: dvalue
|
|
||||||
|
|
||||||
if (LoadDatabase("phreeqc.dat") .ne. 0) call ErrorMessage(Errors)
|
|
||||||
! Initial conditions
|
|
||||||
write(Istring,"(a/)") &
|
|
||||||
"Solution 1-2; END", &
|
|
||||||
"EQUILIBRIUM_PHASES 1; CO2(g) -1.5 10", &
|
|
||||||
"EQUILIBRIUM_PHASES 2; Calcite 0 10", &
|
|
||||||
"END"
|
|
||||||
Errors = AccumulateLine(Istring)
|
|
||||||
If (Run(.FALSE.,.FALSE.,.FALSE.,.FALSE.) .ne. 0) call ErrorMessage(Errors)
|
|
||||||
!If (runstring(Istring, .FALSE.,.FALSE.,.FALSE.,.FALSE.) .ne. 0) call ErrorMessage(Errors)
|
|
||||||
|
|
||||||
! Define SELECTED_OUTPUT and run cell 1
|
|
||||||
write(Istring,"(a/)") &
|
|
||||||
"SELECTED_OUTPUT; -reset false", &
|
|
||||||
"USER_PUNCH", &
|
|
||||||
" -Heading charge H O C Ca pH SR(calcite)", &
|
|
||||||
"10 w = TOT(""water"")", &
|
|
||||||
"20 PUNCH charge_balance, TOT(""H"")*w, TOT(""O"")*w, TOT(""C"")*w, TOT(""Ca"")*w", &
|
|
||||||
"30 PUNCH -LA(""H+""), SR(""calcite"")", &
|
|
||||||
"RUN_CELLS; -cells; 1; END"
|
|
||||||
Errors = AccumulateLine(Istring)
|
|
||||||
if (Run(.FALSE.,.FALSE.,.FALSE.,.FALSE.) .ne. 0) call ErrorMessage(Errors)
|
|
||||||
!call WriteResults(1, Ostring, GetSelectedOutputArray())
|
|
||||||
|
|
||||||
! Transfer to cell 2 and run cell 2
|
|
||||||
do i = 0, 6
|
|
||||||
iresult = GetSelectedOutputValue(1, i, vtype, dvalue(i), svalue)
|
|
||||||
enddo
|
|
||||||
write(Istring, "(a/3(a,e20.14/),a/2(a,e20.14/),a)") &
|
|
||||||
"SOLUTION_MODIFY 2", &
|
|
||||||
" -cb ", dvalue(0), &
|
|
||||||
" -total_h ", dvalue(1), &
|
|
||||||
" -total_o ", dvalue(2), &
|
|
||||||
" -totals ", &
|
|
||||||
" C ", dvalue(3), &
|
|
||||||
" Ca ", dvalue(4), &
|
|
||||||
"RUN_CELLS; -cells; 2; END"
|
|
||||||
Errors = AccumulateLine(Istring)
|
|
||||||
if (Run(.FALSE.,.FALSE.,.FALSE.,.FALSE.) .ne. 0) call ErrorMessage(Errors)
|
|
||||||
!call WriteResults(2, Ostring, GetSelectedOutputArray())
|
|
||||||
|
|
||||||
end
|
|
||||||
|
|
||||||
subroutine ErrorMessage(Errors)
|
|
||||||
integer Errors
|
|
||||||
write(*,*) "Errors in PHREEQC module: ", Errors
|
|
||||||
end subroutine ErrorMessage
|
|
||||||
|
|
||||||
subroutine WriteResults(cell)
|
|
||||||
integer cell
|
|
||||||
double precision ph, sr
|
|
||||||
ph = GetSelectedOutputValue(1, 5)
|
|
||||||
sr = GetSelectedOutputValue(1, 6)
|
|
||||||
write(*,*) "Cell: ", cell
|
|
||||||
write(*,*) " pH: ", pH, " SR(calcite): ", sr
|
|
||||||
End subroutine WriteResults
|
|
||||||
@ -1,20 +0,0 @@
|
|||||||
|
|
||||||
Microsoft Visual Studio Solution File, Format Version 9.00
|
|
||||||
# Visual Studio 2005
|
|
||||||
Project("{6989167D-11E4-40FE-8C1A-2192A86A7E90}") = "advect", "advect.vfproj", "{28459FF2-3C6C-469E-B0C3-2E4D483E7025}"
|
|
||||||
EndProject
|
|
||||||
Global
|
|
||||||
GlobalSection(SolutionConfigurationPlatforms) = preSolution
|
|
||||||
Debug|Win32 = Debug|Win32
|
|
||||||
Release|Win32 = Release|Win32
|
|
||||||
EndGlobalSection
|
|
||||||
GlobalSection(ProjectConfigurationPlatforms) = postSolution
|
|
||||||
{28459FF2-3C6C-469E-B0C3-2E4D483E7025}.Debug|Win32.ActiveCfg = Debug|Win32
|
|
||||||
{28459FF2-3C6C-469E-B0C3-2E4D483E7025}.Debug|Win32.Build.0 = Debug|Win32
|
|
||||||
{28459FF2-3C6C-469E-B0C3-2E4D483E7025}.Release|Win32.ActiveCfg = Release|Win32
|
|
||||||
{28459FF2-3C6C-469E-B0C3-2E4D483E7025}.Release|Win32.Build.0 = Release|Win32
|
|
||||||
EndGlobalSection
|
|
||||||
GlobalSection(SolutionProperties) = preSolution
|
|
||||||
HideSolutionNode = FALSE
|
|
||||||
EndGlobalSection
|
|
||||||
EndGlobal
|
|
||||||
@ -1,33 +0,0 @@
|
|||||||
<?xml version="1.0" encoding="UTF-8"?>
|
|
||||||
<VisualStudioProject ProjectCreator="Intel Fortran" Keyword="Console Application" Version="11.0" ProjectIdGuid="{28459FF2-3C6C-469E-B0C3-2E4D483E7025}">
|
|
||||||
<Platforms>
|
|
||||||
<Platform Name="Win32"/></Platforms>
|
|
||||||
<Configurations>
|
|
||||||
<Configuration Name="Debug|Win32">
|
|
||||||
<Tool Name="VFFortranCompilerTool" SuppressStartupBanner="true" DebugInformationFormat="debugEnabled" Optimization="optimizeDisabled" Interfaces="true" FixedFormLineLength="fixedLength132" WarnInterfaces="true" Traceback="true" BoundsCheck="true" RuntimeLibrary="rtMultiThreadedDebug"/>
|
|
||||||
<Tool Name="VFLinkerTool" LinkIncremental="linkIncrementalNo" SuppressStartupBanner="true" AdditionalLibraryDirectories="c:\3rdparty\IPhreeqc" IgnoreDefaultLibraryNames="libcmt" GenerateDebugInformation="true" SubSystem="subSystemConsole" AdditionalDependencies="IPhreeqc.4137.lib"/>
|
|
||||||
<Tool Name="VFResourceCompilerTool"/>
|
|
||||||
<Tool Name="VFMidlTool" SuppressStartupBanner="true"/>
|
|
||||||
<Tool Name="VFCustomBuildTool"/>
|
|
||||||
<Tool Name="VFPreLinkEventTool"/>
|
|
||||||
<Tool Name="VFPreBuildEventTool"/>
|
|
||||||
<Tool Name="VFPostBuildEventTool"/>
|
|
||||||
<Tool Name="VFManifestTool" SuppressStartupBanner="true"/></Configuration>
|
|
||||||
<Configuration Name="Release|Win32">
|
|
||||||
<Tool Name="VFFortranCompilerTool" SuppressStartupBanner="true"/>
|
|
||||||
<Tool Name="VFLinkerTool" LinkIncremental="linkIncrementalNo" SuppressStartupBanner="true" AdditionalLibraryDirectories="c:\3rdparty\IPhreeqc" SubSystem="subSystemConsole" AdditionalDependencies="IPhreeqc.4137.lib"/>
|
|
||||||
<Tool Name="VFResourceCompilerTool"/>
|
|
||||||
<Tool Name="VFMidlTool" SuppressStartupBanner="true"/>
|
|
||||||
<Tool Name="VFCustomBuildTool"/>
|
|
||||||
<Tool Name="VFPreLinkEventTool"/>
|
|
||||||
<Tool Name="VFPreBuildEventTool"/>
|
|
||||||
<Tool Name="VFPostBuildEventTool"/>
|
|
||||||
<Tool Name="VFManifestTool" SuppressStartupBanner="true"/></Configuration></Configurations>
|
|
||||||
<Files>
|
|
||||||
<Filter Name="Header Files" Filter="fi;fd">
|
|
||||||
<File RelativePath=".\IPhreeqc.f90.inc"/></Filter>
|
|
||||||
<Filter Name="Resource Files" Filter="rc;ico;cur;bmp;dlg;rc2;rct;bin;rgs;gif;jpg;jpeg;jpe"/>
|
|
||||||
<Filter Name="Source Files" Filter="f90;for;f;fpp;ftn;def;odl;idl">
|
|
||||||
<File RelativePath=".\advect.f90"/></Filter>
|
|
||||||
<File RelativePath=".\ReadMe.txt"/></Files>
|
|
||||||
<Globals/></VisualStudioProject>
|
|
||||||
@ -1,14 +0,0 @@
|
|||||||
SOLUTION 1-2
|
|
||||||
END
|
|
||||||
EQUILIBRIUM_PHASES 1
|
|
||||||
CO2(g) -1.5 10
|
|
||||||
EQUILIBRIUM_PHASES 2
|
|
||||||
Calcite 0 10
|
|
||||||
SELECTED_OUTPUT
|
|
||||||
-reset false
|
|
||||||
USER_PUNCH
|
|
||||||
-Heading charge H O C Ca pH SR(calcite)
|
|
||||||
10 w = TOT("water")
|
|
||||||
20 PUNCH charge_balance, TOT("H")*w, TOT("O")*w, TOT("C")*w, TOT("Ca")*w
|
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30 PUNCH -LA("H+"), SR("calcite")
|
|
||||||
END
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|
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