diff --git a/bench/dolo/dol.pqi b/bench/dolo/dol.pqi index 408339482..f05425129 100644 --- a/bench/dolo/dol.pqi +++ b/bench/dolo/dol.pqi @@ -1,35 +1,38 @@ -SELECTED_OUTPUT - -high_precision true - -reset false - -time - -soln - -temperature true - -water true - -pH - -pe - -totals C Ca Cl Mg - -kinetic_reactants Calcite Dolomite - -equilibrium O2g - SOLUTION 1 - units mol/kgw - temp 25.0 - water 1 - pH 9.91 charge - pe 4.0 - C 1.2279E-04 - Ca 1.2279E-04 - Cl 1E-12 - Mg 1E-12 + units mol/kgw + water 1 + temperature 25 + pH 7 + pe 4 PURE 1 - O2g -0.1675 10 -KINETICS 1 - Calcite - -m 0.000207 - -parms 0.0032 - -tol 1e-10 - Dolomite - -m 0.0 - -parms 0.00032 - -tol 1e-10 + Calcite 0.0 1 END + +RUN_CELLS + -cells 1 + +COPY solution 1 2 + +PURE 2 + O2g -0.1675 10 +KINETICS 2 + Calcite + -m 0.000207 + -parms 0.05 + -tol 1e-10 + Dolomite + -m 0.0 + -parms 0.005 + -tol 1e-10 +END + +SOLUTION 3 + units mol/kgw + water 1 + temp 25 + Mg 0.001 + Cl 0.002 +END + +RUN_CELLS + -cells 2-3 diff --git a/bench/dolo/het/dolo_200.R b/bench/dolo/dolo_200.R similarity index 100% rename from bench/dolo/het/dolo_200.R rename to bench/dolo/dolo_200.R diff --git a/bench/dolo/het/dolo_200_rt.R b/bench/dolo/dolo_200_rt.R similarity index 100% rename from bench/dolo/het/dolo_200_rt.R rename to bench/dolo/dolo_200_rt.R diff --git a/bench/dolo/dolo_inner.rds b/bench/dolo/dolo_inner.rds new file mode 100644 index 000000000..18740ebfc Binary files /dev/null and b/bench/dolo/dolo_inner.rds differ diff --git a/bench/dolo/het/dol.pqi b/bench/dolo/het/dol.pqi deleted file mode 100644 index f05425129..000000000 --- a/bench/dolo/het/dol.pqi +++ /dev/null @@ -1,38 +0,0 @@ -SOLUTION 1 - units mol/kgw - water 1 - temperature 25 - pH 7 - pe 4 -PURE 1 - Calcite 0.0 1 -END - -RUN_CELLS - -cells 1 - -COPY solution 1 2 - -PURE 2 - O2g -0.1675 10 -KINETICS 2 - Calcite - -m 0.000207 - -parms 0.05 - -tol 1e-10 - Dolomite - -m 0.0 - -parms 0.005 - -tol 1e-10 -END - -SOLUTION 3 - units mol/kgw - water 1 - temp 25 - Mg 0.001 - Cl 0.002 -END - -RUN_CELLS - -cells 2-3 diff --git a/bench/dolo/Eval.R b/bench/dolo/old/Eval.R similarity index 100% rename from bench/dolo/Eval.R rename to bench/dolo/old/Eval.R diff --git a/bench/dolo/old/dol.pqi b/bench/dolo/old/dol.pqi new file mode 100644 index 000000000..408339482 --- /dev/null +++ b/bench/dolo/old/dol.pqi @@ -0,0 +1,35 @@ +SELECTED_OUTPUT + -high_precision true + -reset false + -time + -soln + -temperature true + -water true + -pH + -pe + -totals C Ca Cl Mg + -kinetic_reactants Calcite Dolomite + -equilibrium O2g + +SOLUTION 1 + units mol/kgw + temp 25.0 + water 1 + pH 9.91 charge + pe 4.0 + C 1.2279E-04 + Ca 1.2279E-04 + Cl 1E-12 + Mg 1E-12 +PURE 1 + O2g -0.1675 10 +KINETICS 1 + Calcite + -m 0.000207 + -parms 0.0032 + -tol 1e-10 + Dolomite + -m 0.0 + -parms 0.00032 + -tol 1e-10 +END diff --git a/bench/dolo/dolo_diffu_inner.R b/bench/dolo/old/dolo_diffu_inner.R similarity index 100% rename from bench/dolo/dolo_diffu_inner.R rename to bench/dolo/old/dolo_diffu_inner.R diff --git a/bench/dolo/dolo_diffu_inner_large.R b/bench/dolo/old/dolo_diffu_inner_large.R similarity index 100% rename from bench/dolo/dolo_diffu_inner_large.R rename to bench/dolo/old/dolo_diffu_inner_large.R diff --git a/bench/dolo/dolo_inner.pqi b/bench/dolo/old/dolo_inner.pqi similarity index 100% rename from bench/dolo/dolo_inner.pqi rename to bench/dolo/old/dolo_inner.pqi diff --git a/bench/dolo/dolo_interp_long.R b/bench/dolo/old/dolo_interp_long.R similarity index 100% rename from bench/dolo/dolo_interp_long.R rename to bench/dolo/old/dolo_interp_long.R diff --git a/bench/dolo/het/phreeqc_kin.dat b/bench/dolo/old/phreeqc_kin.dat similarity index 100% rename from bench/dolo/het/phreeqc_kin.dat rename to bench/dolo/old/phreeqc_kin.dat