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after debugging triple_layer sim

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Marco De Lucia 2025-12-02 17:17:00 +01:00
parent d0e1560360
commit 5cc5b195ea
1 changed files with 6 additions and 3 deletions
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9
src/phreeqcpp/Solution.cxx
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@ -1083,7 +1083,7 @@ void cxxSolution::Update(LDBLE h_tot, LDBLE o_tot, LDBLE charge, LDBLE tc,
this->total_h = h_tot; this->total_h = h_tot;
this->total_o = o_tot; this->total_o = o_tot;
this->cb = charge; this->cb = charge;
this->mass_water = massh2o; // o_tot / 55.55; MDL this->mass_water = massh2o; // o_tot / 55.55; // MDL
// this->density = 1.0; // this->density = 1.0;
// this->viscosity = 1.0; // this->viscosity = 1.0;
@ -1108,6 +1108,7 @@ void cxxSolution::Update(LDBLE h_tot, LDBLE o_tot, LDBLE charge, LDBLE tc,
// } // }
// } // }
} }
void cxxSolution::Update_activities(const cxxNameDouble &original_tot) { void cxxSolution::Update_activities(const cxxNameDouble &original_tot) {
// Totals and activities of solution are updated // Totals and activities of solution are updated
// nd does not have H, O, charge // nd does not have H, O, charge
@ -1166,6 +1167,7 @@ void cxxSolution::Update_activities(const cxxNameDouble &original_tot) {
} }
} }
} }
void cxxSolution::Update(const cxxNameDouble &const_nd) { void cxxSolution::Update(const cxxNameDouble &const_nd) {
// const_nd is a list of new totals, assumed to be inclusive of all elements // const_nd is a list of new totals, assumed to be inclusive of all elements
// Totals and activities of solution are updated // Totals and activities of solution are updated
@ -1233,19 +1235,20 @@ void cxxSolution::Update(const cxxNameDouble &const_nd) {
// update totals // update totals
this->totals = simple_new; this->totals = simple_new;
} }
void cxxSolution::zero() { void cxxSolution::zero() {
this->tc = 0.0; this->tc = 0.0;
this->ph = 0.0; this->ph = 0.0;
this->pe = 0.0; this->pe = 0.0;
this->mu = 0.0; this->mu = 0.0;
this->ah2o = 0.0; this->ah2o = 1.0;
this->total_h = 0.0; this->total_h = 0.0;
this->total_o = 0.0; this->total_o = 0.0;
this->cb = 0.0; this->cb = 0.0;
this->density = 1.0; this->density = 1.0;
this->viscosity = 1.0; this->viscosity = 1.0;
this->viscos_0 = 1.0; this->viscos_0 = 1.0;
this->mass_water = 0.0; this->mass_water = 1.0;
this->soln_vol = 0.0; this->soln_vol = 0.0;
this->total_alkalinity = 0.0; this->total_alkalinity = 0.0;
this->totals.type = cxxNameDouble::ND_ELT_MOLES; this->totals.type = cxxNameDouble::ND_ELT_MOLES;