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Reactive transport feature with Phreeqc interface #2494

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merged 38 commits into from Jun 6, 2019
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e62c861
[T] Add Euilibrium phase block test.
renchao-lu Mar 2, 2019
aacf727
[CMake] set up link between ProcessLib and ChemistryLib.
renchao-lu Mar 14, 2019
92c96db
[PL] Create process id to component name map.
renchao-lu Mar 14, 2019
68b3054
[T] Add Kinetic reactant block test.
renchao-lu Mar 14, 2019
69066d6
[Doc] Web documentation.
renchao-lu Mar 20, 2019
f17bd97
[T] Added RUNTIME argument to iphreeqc benchmarks.
bilke May 16, 2019
aa85185
[T] Benchmark description for Equilibrium phase block test
May 17, 2019
0f5cd00
[CL] Create class Aqueous Solution.
renchao-lu Jun 4, 2019
d5ffc28
[CL] Create class Equilibrium Phase.
renchao-lu Jun 4, 2019
6be6a18
[CL] Create class Kinetic Reactant.
renchao-lu Jun 4, 2019
86e626d
[CL] Create class Reaction Rate.
renchao-lu Jun 4, 2019
a8cd638
[CL] Create class Output.
renchao-lu Jun 4, 2019
ffcec24
[CL] Create class PhreeqcIO.
renchao-lu Jun 4, 2019
c6a05b2
[AL/ProjectData] Parse chemical system.
renchao-lu Jun 4, 2019
5c7511e
[BL] Added a member function to get project file name.
renchao-lu Jun 4, 2019
af286ae
[CMake] Added ChemistryLib.
renchao-lu Jun 4, 2019
b1b8186
[CL] Added overloading operator function for Aqueous Solution output.
renchao-lu Jun 4, 2019
c90d38d
[CL] Added overloading operator function in Equilibrium Phase.
renchao-lu Jun 4, 2019
996cb6e
[CMake] Create ChemistryLib.
renchao-lu Jun 4, 2019
e422e14
[CL] Added overloading operator function in Kinetic Reactant.
renchao-lu Jun 4, 2019
8a541f0
[CL] Added overloading operator function in Reaction Rate.
renchao-lu Jun 4, 2019
a97edf1
[CL] Added overloading operator function in Output.
renchao-lu Jun 4, 2019
fbbf775
[PL] Perform chemical calculation.
renchao-lu Jun 4, 2019
6ec7f05
[CL] Set chemical composition of solution or update process solutions.
renchao-lu Jun 4, 2019
c1808dc
[CL] Write inputs into file.
renchao-lu Jun 4, 2019
e058042
[CL] Call Phreeqc to do chemical calculation.
renchao-lu Jun 4, 2019
a778d84
[CL] Read from Phreeqc result file.
renchao-lu Jun 4, 2019
d0cb0d2
[CL] Apply readability-braces-around-statements.
endJunction Jun 5, 2019
ce13fdd
[CL] Explicit single argument constructors.
endJunction Jun 5, 2019
f4e031a
[CL] Replace unnecessary lambda with direct call.
endJunction Jun 5, 2019
3632ac9
[CL] Extract common name comparison into lambda.
endJunction Jun 5, 2019
86cb814
[CL] Pass const-ref to the config.
endJunction Jun 5, 2019
c639ea5
[CL] Extract create aqueous solution function.
endJunction Jun 5, 2019
3987720
[CL] Extract create equilibrium phase.
endJunction Jun 5, 2019
847a7c0
[CL] Extract create kinetic reactant.
endJunction Jun 5, 2019
b1962a4
[CL] Extract create reaction rate.
endJunction Jun 5, 2019
abbacbe
[T] Revised llnl.dat used in Kinetic reactant block test.
renchao-lu Jun 6, 2019
b7796b6
[CL] Check for stod errors on input.
endJunction Jun 6, 2019
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[CL] Explicit single argument constructors.

google-explicit-constructor
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endJunction committed Jun 5, 2019
commit ce13fdd109c16da6cd2c5af286918e51479bd6d0
@@ -19,7 +19,7 @@ namespace ChemistryLib
class BasicOutputSetups
{
public:
BasicOutputSetups(std::string const& project_file_name)
explicit BasicOutputSetups(std::string const& project_file_name)
: output_file(project_file_name + "_phreeqc.out")
{
}
@@ -25,7 +25,7 @@ namespace ChemistryLib
{
struct Component
{
Component(std::string name_) : name(std::move(name_)) {}
explicit Component(std::string name_) : name(std::move(name_)) {}

std::string const name;
double amount;
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