Gems3k  3.1
GEMS3K standalone solver for geochemical equilibria
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File List
Here is a list of all documented files with brief descriptions:
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/databr.h [code]Contains definition of the DATABR structure - data bridge between GEMS3K and another code
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/datach.h [code]DataCHemistry contains chemical system definitions common to all nodes for the exchange between the GEM IPM and the FMT code parts
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/gdatastream.cppImplementation of stream binary file operations extended for endianness (e.g
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/gdatastream.h [code]Contains definition of the GemDataStream class for processing binary data streams on platforms with different endianness
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/io_arrays.cppImplementation of service functions for writing/reading arrays in files
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/io_arrays.h [code]Various service functions for writing/reading arrays in files
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/ipm_chemical.cppImplementation of chemistry-specific functions (concentrations, activity coefficients, adsorption models etc.) for the IPM convex programming Gibbs energy minimization algorithm
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/ipm_chemical2.cppImplementation of chemistry-specific functions (concentrations, activity coefficients, adsorption models etc.) for the IPM convex programming Gibbs energy minimization algorithm
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/ipm_chemical3.cppImplementation of chemistry-specific functions (concentrations, activity coefficients, chemical potentials, etc.) for the IPM convex programming Gibbs energy minimization algorithm
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/ipm_main.cppImplementation of parts of the Interior Points Method (IPM) module for convex programming Gibbs energy minimization Uses: JAMA/C++ Linear Algebra Package based on the Template Numerical Toolkit (TNT) - an interface for scientific computing in C++, (c) Roldan Pozo, NIST (USA), http://math.nist.gov/tnt/download.html
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/ipm_simplex.cppImplementation of parts of the Interior Points Method (IPM) algorithm for convex programming Gibbs energy minimization,including modified simplex LP method with two-side constraints
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/m_const.h [code]Declarations of enums and constants from GEM-Selektor code that are used in GEMS3K standalone code (this file is not used otherwise)
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/m_param.h [code]Declaration of TProfil class, config and calculation functions
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/ms_multi.h [code]Declaration of TMulti class, configuration, and related functions based on the IPM work data structure MULTI
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/ms_multi_file.cppImplementation of writing/reading IPM I/O files of GEMS3K
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/ms_multi_format.cppImplementation of writing/reading IPM, DCH and DBR text I/O files
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/ms_param.cppImplementation of default settings for the Interior Points Method (IPM) module for convex programming Gibbs energy minimization as well as I/O functions for IPM files
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/node.cppImplementation of TNode class functionality including initialization and execution of the GEM IPM 3 kernel Works with DATACH and DATABR structures
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/node.h [code]Declaration of TNode class that implements a simple C/C++ interface between GEMS3K and another code
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/node_format.cppInterface for writing/reading DBR and DCH I/O files of GEMS3K Works with DATACH and DATABR structures
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/nodearray.cppImplementation of TNodeArray class functionality - advanced interface between GEM IPM and FMT node array working with one DATACH structure and arrays of DATABR structures
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/nodearray.h [code]Contains declaration of TNodeArray class implementing an advanced interface for development of coupled codes involving GEMS3K
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/num_methods.cppC/C++ implementation of some numerical methods (Lagrange interpolation) used in GEMS3K code
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/num_methods.h [code]Declarations of C/C++ Numerical Methods used in GEMS3K code
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/s_solmod.cppImplementation of the TSolMod base class
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/s_solmod.h [code]Declarations of TSolMod and derived classes implementing built-in models of mixing in fluid, liquid, aqueous and solid-solution phases
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/s_solmod2.cppImplementation of TSolMod derived classes for fluid phase models (TPRSVcalc, TCGFcalc, TSRKcalc, TPR78calc, TCORKcalc and TSTPcalc classes)
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/s_solmod3.cppImplementation of TSolMod derived classes for activity models of mixing in condensed (solid and liquid) phases (TVanLaar, TRegular, TRedlichKister, TNRTL, TWilson, TMargulesTernary, TMargulesBinary, TGuggenheim, TIdeal multi-site, TBerman)
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/s_solmod4.cppImplementation of TSolMod derived classes for ion-association aqueous activity models (THelgeson, TDavies, TLimitingLaw, TDebyeHueckel, TKarpov, TShvarov)
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/s_solmod5.cppImplementation of TSolMod derived classes for specific ion interaction aqueous activity models (TSIT, TPitzer, TEUNIQUAC)
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/s_sorpmod.h [code]
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/v_user.h [code]Declaration of platform-specific utility functions and classes
/Users/kulik/DevGEMS/trunk/standalone/GEMS3K/verror.h [code]Declarations of classes TError and TFatalError for error handling