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16 commits

Author SHA1 Message Date
Bryan W. Weber
ded50547f9 Update test results changed by constants and elements 
Update reference values and blessed files in regression tests.
 2019-08-09 15:15:30 -04:00
Ray Speth
d035557531 [Thermo] Make adding undefined elements the default behavior 
(except when importing a phase from a CTI or XML input file)
 2017-08-13 23:59:49 -04:00
Ray Speth
95a52b2d34 [Test] Fix test compilation with G++ 4.6 
G++ 4.6 doesn't support non-static data member initializers
 2017-02-23 23:03:14 -05:00
Ray Speth
31d54c3b11 [Thermo] Allow instantiation of MaskellSolidSolnPhase without XML 2017-02-22 22:18:40 -05:00
Ray Speth
b39537bfcb [Thermo] Merge functionality of VPSSMgr into VPStandardStateTP 
Remove the now-unused VPSSMgr class and descendants.
 2017-02-13 13:25:46 -05:00
Ray Speth
fb4eece9f8 Use std::unique_ptr instead of raw pointers where appropriate 2015-10-14 18:45:23 -04:00
Ray Speth
71bb73b728 Eliminate unnecessary calles to std::string.c_str() 2015-10-14 18:45:22 -04:00
Ray Speth
bfb20e1f50 Consistently use vector_fp and vector_int typedefs 2015-08-02 23:06:16 -04:00
Ray Speth
546289f737 Remove deprecated code with functional alternatives 2015-07-13 18:59:09 -04:00
Ray Speth
79461c34e8 [Thermo] Add default value for 'id' argument of 'newPhase' 2014-09-27 00:09:11 +00:00
Victor Brunini
584abf0d10 Performance improvements for HMWSoln and MaskellSolidSolnPhase. 
HMWSoln: avoid recomputing lambdas if ionic strength hasn't changed.

MaskellSolidSolnPhase: Avoid recomputing activity coefficients if
r and T haven't changed.
 2014-03-12 20:37:04 +00:00
Victor Brunini
1565bad198 MaskellSolidPhaseSoln thermo updates. 
Fix sign error in chemical potentials and update
activity coefficients accordingly.

Correct implementation of getActivityConcentrations()

Additional unit tests.
 2014-03-07 17:14:13 +00:00
Victor Brunini
0981391ac4 Implement and test MaskellSolidSolnPhase::getActivityCoefficients(). 2014-03-07 00:53:33 +00:00
Victor Brunini
5898bf025f Implement MaskellSolidSolnPhase::getPartialMolarVolumes() 
User VPStandardStateVP as base class and just return
the standard state molar volumes.
 2014-03-06 20:23:23 +00:00
Victor Brunini
32ce311bed Fix Issue 209. 
installShomateThermoFromXML now checks that
7 coefficients are supplied in the floatArray and
throws if that is not the case.

Also update MaskeLLSolidSolnPhase_Test xml files
to correctly contain 7 coefficients to not trigger
the newly added throw.
 2014-03-06 00:08:58 +00:00
Victor Brunini
93fcf181b1 Initial pass at implementing Maskell solid solution ThermoPhase. 
Based on Maskell, Shaw, and Tye, Electrochimica Acta 28(2) 225-230 1983.
Includes unit tests checking calculation of the chemical potential values
and parsing of the mixing enthalpy parameter from an XML file.
 2014-02-28 00:38:09 +00:00