From f90bf978dfd1b2a82adacdafd3821030ce53b1e6 Mon Sep 17 00:00:00 2001 From: Ray Speth Date: Fri, 31 Jul 2015 17:46:46 -0400 Subject: [PATCH] Use += and -= where appropriate --- interfaces/cython/cantera/ctml_writer.py | 4 +- .../cantera/mixmaster/CompositionFrame.py | 8 +- .../cython/cantera/mixmaster/ControlPanel.py | 2 +- .../cython/cantera/mixmaster/DataFrame.py | 6 +- .../cython/cantera/mixmaster/DataGraph.py | 10 +- interfaces/cython/cantera/mixmaster/Edit.py | 8 +- .../cython/cantera/mixmaster/ElementFrame.py | 4 +- .../cython/cantera/mixmaster/GraphFrame.py | 2 +- .../cython/cantera/mixmaster/KineticsFrame.py | 8 +- .../cython/cantera/mixmaster/MechManager.py | 4 +- .../cython/cantera/mixmaster/NewFlowFrame.py | 8 +- .../cython/cantera/mixmaster/SpeciesFrame.py | 6 +- .../cython/cantera/mixmaster/SpeciesInfo.py | 14 +- .../cython/cantera/mixmaster/UnitChooser.py | 6 +- .../cython/cantera/mixmaster/Units/unit.py | 4 +- src/equil/ChemEquil.cpp | 2 +- src/equil/vcs_prep.cpp | 2 +- src/thermo/HMWSoln.cpp | 262 +++++++++--------- src/thermo/WaterPropsIAPWSphi.cpp | 2 +- src/tpx/Sub.cpp | 4 +- .../cathermo/HMW_graph_GvI/HMW_graph_GvI.cpp | 2 +- .../cathermo/HMW_graph_GvT/HMW_graph_GvT.cpp | 2 +- 22 files changed, 179 insertions(+), 191 deletions(-) diff --git a/interfaces/cython/cantera/ctml_writer.py b/interfaces/cython/cantera/ctml_writer.py index 030c18ae1..62af7d041 100644 --- a/interfaces/cython/cantera/ctml_writer.py +++ b/interfaces/cython/cantera/ctml_writer.py @@ -149,7 +149,7 @@ class XMLnode(object): if value[0] != ' ': value = ' '+value if value[-1] != ' ': - value = value+' ' + value += ' ' s.append(value+'-->') def write_attribs(self, s): @@ -2176,7 +2176,7 @@ class lattice_solid(phase): for lat in lattices: _sp = "" for spp in lat._species: - _sp = _sp + spp + _sp += spp s = _sp.split() for sp in s: if not sp in slist: diff --git a/interfaces/cython/cantera/mixmaster/CompositionFrame.py b/interfaces/cython/cantera/mixmaster/CompositionFrame.py index 81d5245b5..9cdf7446d 100644 --- a/interfaces/cython/cantera/mixmaster/CompositionFrame.py +++ b/interfaces/cython/cantera/mixmaster/CompositionFrame.py @@ -214,7 +214,7 @@ class MixtureFrame(Frame): k = s.index if row > 25: row = 0 - col = col + 2 + col += 2 l = Label(self.entries,text='Species') l.grid(column=col,row=row,sticky=E+W) e1 = Entry(self.entries) @@ -222,7 +222,7 @@ class MixtureFrame(Frame): e1['textvariable'] = self.var e1.config(state=DISABLED) e1.config(bg='lightyellow',relief=RIDGE) - row = row + 1 + row += 1 spname = s.name val = self.comp[k] @@ -240,8 +240,8 @@ class MixtureFrame(Frame): if showit: l.grid(column= col ,row=row,sticky=E) entry1.grid(column=col+1,row=row) - n=n+1 - row = row + 1 + n += 1 + row += 1 if equil == 1: entry1.config(state=DISABLED,bg='lightgray') ## if self.c.hide.get(): diff --git a/interfaces/cython/cantera/mixmaster/ControlPanel.py b/interfaces/cython/cantera/mixmaster/ControlPanel.py index 1f167e3c6..8628d7e02 100644 --- a/interfaces/cython/cantera/mixmaster/ControlPanel.py +++ b/interfaces/cython/cantera/mixmaster/ControlPanel.py @@ -94,7 +94,7 @@ class ControlWindow(Frame): i = 0 for f in funcs: filemenu.add_command(label=f[0], command=f[1]) - i = i + 1 + i += 1 filebutton['menu']=filemenu return filemenu diff --git a/interfaces/cython/cantera/mixmaster/DataFrame.py b/interfaces/cython/cantera/mixmaster/DataFrame.py index f67de94d7..cdfdb965a 100644 --- a/interfaces/cython/cantera/mixmaster/DataFrame.py +++ b/interfaces/cython/cantera/mixmaster/DataFrame.py @@ -338,8 +338,8 @@ class DataFrame(Frame): ymax = ymax*1.1 dy = abs(ymax - ymin) else: - ymin = ymin - 0.1*dy - ymax = ymax + 0.1*dy + ymin -= 0.1*dy + ymax += 0.1*dy dy = abs(ymax - ymin) p10 = math.floor(math.log10(0.1*dy)) @@ -348,7 +348,7 @@ class DataFrame(Frame): i = 0 while dy/fctr > 5: fctr = mm[i % 3]*fctr - i = i + 1 + i += 1 ymin = fctr*math.floor(ymin/fctr) ymax = fctr*(math.floor(ymax/fctr + 1)) return (ymin, ymax, fctr) diff --git a/interfaces/cython/cantera/mixmaster/DataGraph.py b/interfaces/cython/cantera/mixmaster/DataGraph.py index e625e5210..c8b80682c 100644 --- a/interfaces/cython/cantera/mixmaster/DataGraph.py +++ b/interfaces/cython/cantera/mixmaster/DataGraph.py @@ -33,8 +33,8 @@ def plotLimits(ypts, f=0.0, ndiv=5, logscale=0): ## dy = abs(ymax - ymin) ## else: else: - ymin = ymin - f*dy - ymax = ymax + f*dy + ymin -= f*dy + ymax += f*dy dy = abs(ymax - ymin) try: @@ -46,7 +46,7 @@ def plotLimits(ypts, f=0.0, ndiv=5, logscale=0): i = 0 while dy/fctr > ndiv: fctr = mm[i % 3]*fctr - i = i + 1 + i += 1 ymin = fctr*math.floor(ymin/fctr) ymax = fctr*(math.floor(ymax/fctr+0.999)) @@ -212,7 +212,7 @@ class DataGraph(Frame): if self.logscale[1]: ytick *= 10.0 n = 10 - else: ytick = ytick + dy + else: ytick += dy if ytick <= ymax: self.minorTicks(ytick0, ytick, xmin, n, 5, 1) self.minorTicks(ytick0, ytick, xmax, n, -5, 1) @@ -228,7 +228,7 @@ class DataGraph(Frame): if self.logscale[0]: xtick *= 10.0 n = 10 - else: xtick = xtick + dx + else: xtick += dx if xtick <= xmax: self.minorTicks(xtick - dx, xtick, ymin, n, 5, 0) self.minorTicks(xtick - dx, xtick, ymax, n, -5, 0) diff --git a/interfaces/cython/cantera/mixmaster/Edit.py b/interfaces/cython/cantera/mixmaster/Edit.py index bd87123c6..b8135187d 100644 --- a/interfaces/cython/cantera/mixmaster/Edit.py +++ b/interfaces/cython/cantera/mixmaster/Edit.py @@ -54,7 +54,7 @@ class EditFrame(Frame): x = Label(self.eframe,text=el,fg='darkblue') x.grid(column = n, row=0) self.element_labels.append(x) - n = n + 1 + n += 1 b=Button(self.eframe,text='Element',command=self.chooseElements, default=ACTIVE) b.grid(column=0, row=1, columnspan=10) @@ -77,7 +77,7 @@ class EditFrame(Frame): onvalue = 1, offvalue = 0) ) self.spcheck[i].grid(row = r, column = c, sticky = N+W) self.spcheck[i].bind("", self.editSpecies) - c = c + 1 + c += 1 if c > 4: c, r = 0, r + 1 @@ -106,7 +106,7 @@ class EditFrame(Frame): i = 0 for el in self.app.mech.elementNames(): self.addEntry(elframe,el,i,0,self.mech.nAtoms(sp, el)) - i = i + 1 + i += 1 # thermo thframe = Frame(e) @@ -194,6 +194,6 @@ class EditFrame(Frame): x = Label(self.eframe,text=el.symbol(),fg='darkblue') x.grid(column = n, row=0) self.element_labels.append(x) - n = n + 1 + n += 1 self.app.makeWindows() diff --git a/interfaces/cython/cantera/mixmaster/ElementFrame.py b/interfaces/cython/cantera/mixmaster/ElementFrame.py index 4fc406917..57cb94d08 100644 --- a/interfaces/cython/cantera/mixmaster/ElementFrame.py +++ b/interfaces/cython/cantera/mixmaster/ElementFrame.py @@ -58,7 +58,7 @@ class PeriodicTable(Frame): self.c[el].pack() self.c[el].bind("",self.setColors) self.element[el].grid(row=_pos[el][0]-1, column = _pos[el][1]-1,sticky=W+N+E+S) - n = n + 1 + n += 1 Label(self.entries,text='select the elements to be included, and then press OK.\nTo view the properties of the selected elements, press Display ').grid(row=0, column=2, columnspan=10, sticky=W) @@ -153,7 +153,7 @@ class ElementPropertyFrame(Frame): row=n, sticky=W, padx=10) - n = n + 1 + n += 1 # utility functions diff --git a/interfaces/cython/cantera/mixmaster/GraphFrame.py b/interfaces/cython/cantera/mixmaster/GraphFrame.py index 5be24bd48..e7d8a4978 100644 --- a/interfaces/cython/cantera/mixmaster/GraphFrame.py +++ b/interfaces/cython/cantera/mixmaster/GraphFrame.py @@ -76,7 +76,7 @@ class Graph(Frame): last_x, last_y, last_color = pt else: last_x, last_y, last_color = self.last_points[i] - i = i + 1 + i += 1 xpt = (x - self.minX)/(float(self.maxX - self.minX)/self.graph_w) + 1.5 ypt = (self.maxY-y)/(float(self.maxY - self.minY)/self.graph_h) - 1.5 last_xpt = (last_x - self.minX)/(float(self.maxX - self.minX)/self.graph_w) + 1.5 diff --git a/interfaces/cython/cantera/mixmaster/KineticsFrame.py b/interfaces/cython/cantera/mixmaster/KineticsFrame.py index d6f7fe56f..d5c0723dd 100644 --- a/interfaces/cython/cantera/mixmaster/KineticsFrame.py +++ b/interfaces/cython/cantera/mixmaster/KineticsFrame.py @@ -150,7 +150,7 @@ class SpeciesKineticsFrame(Frame): k = s.index if row > 15: row = 0 - col = col + 2 + col += 2 l = Label(self.entries,text='Species') l.grid(column=col,row=row,sticky=E+W) e1 = Entry(self.entries) @@ -158,7 +158,7 @@ class SpeciesKineticsFrame(Frame): e1['textvariable'] = self.var e1.config(state=DISABLED) e1.config(bg='lightyellow',relief=RIDGE) - row = row + 1 + row += 1 spname = s.name val = self.comp[k] @@ -176,8 +176,8 @@ class SpeciesKineticsFrame(Frame): if showit: l.grid(column= col ,row=row,sticky=E) entry1.grid(column=col+1,row=row) - n=n+1 - row = row + 1 + n += 1 + row += 1 entry1.config(state=DISABLED,bg='lightgray') diff --git a/interfaces/cython/cantera/mixmaster/MechManager.py b/interfaces/cython/cantera/mixmaster/MechManager.py index 75f0f166f..63df4402d 100644 --- a/interfaces/cython/cantera/mixmaster/MechManager.py +++ b/interfaces/cython/cantera/mixmaster/MechManager.py @@ -40,7 +40,7 @@ class MechManager(Frame): i = 1 #for m in self.mechanisms: # self.mlist.append((m[0], self.setMechanism, 'check', self.mechindx, i)) - # i = i + 1 + # i += 1 #self.mlist.append([]) self.mechmenu = make_menu('Mixtures', self, self.mlist) @@ -76,7 +76,7 @@ class MechManager(Frame): ## Radiobutton(self.mfr, text=name, variable=self.mechindx, ## value = i, ## command=self.setMechanism).grid(row=i,column=0) -## i = i + 1 +## i += 1 ## print 'end' diff --git a/interfaces/cython/cantera/mixmaster/NewFlowFrame.py b/interfaces/cython/cantera/mixmaster/NewFlowFrame.py index 42a816d40..d34a142bd 100644 --- a/interfaces/cython/cantera/mixmaster/NewFlowFrame.py +++ b/interfaces/cython/cantera/mixmaster/NewFlowFrame.py @@ -84,7 +84,7 @@ class NewFlowFrame(Frame): ## k = s.index ## if row > 15: ## row = 0 -## col = col + 2 +## col += 2 ## l = Label(self.entries,text='Species') ## l.grid(column=col,row=row,sticky=E+W) ## e1 = Entry(self.entries) @@ -92,7 +92,7 @@ class NewFlowFrame(Frame): ## e1['textvariable'] = self.var ## e1.config(state=DISABLED) ## e1.config(bg='lightyellow',relief=RIDGE) -## row = row + 1 +## row += 1 ## spname = s.name ## val = self.comp[k] @@ -110,8 +110,8 @@ class NewFlowFrame(Frame): ## if showit: ## l.grid(column= col ,row=row,sticky=E) ## entry1.grid(column=col+1,row=row) -## n=n+1 -## row = row + 1 +## n+=1 +## row += 1 ## if self.c.hide.get(): ## b=Button(self.entries,height=1,command=self.maximize) ## else: diff --git a/interfaces/cython/cantera/mixmaster/SpeciesFrame.py b/interfaces/cython/cantera/mixmaster/SpeciesFrame.py index b9fb51c63..0f1cb269a 100644 --- a/interfaces/cython/cantera/mixmaster/SpeciesFrame.py +++ b/interfaces/cython/cantera/mixmaster/SpeciesFrame.py @@ -48,9 +48,9 @@ class SpeciesFrame(Frame): self.c[el].pack() self.c[el].bind("",self.setColors) self.species[el].grid(row= rw, column = col,sticky=W+N+E+S) - col = col + 1 + col += 1 if col > ncol: - rw = rw + 1 + rw += 1 col = 0 Label(self.entries,text='select the species to be included, and then press OK.\nTo view the properties of the selected species, press Display ').grid(row=0, column=2, columnspan=10, sticky=W) @@ -144,7 +144,7 @@ class SpeciesFrame(Frame): ## row=n, ## sticky=W, ## padx=10) -## n = n + 1 +## n += 1 # utility functions diff --git a/interfaces/cython/cantera/mixmaster/SpeciesInfo.py b/interfaces/cython/cantera/mixmaster/SpeciesInfo.py index 4d63735dd..a84758893 100644 --- a/interfaces/cython/cantera/mixmaster/SpeciesInfo.py +++ b/interfaces/cython/cantera/mixmaster/SpeciesInfo.py @@ -50,7 +50,7 @@ class SpeciesInfo(Label): .grid(row=0,column=0,sticky=N+W) for el, c in self.sp.composition(): Label(self.eframe,text=repr(int(c))+' '+el).grid(row=0,column=r) - r = r + 1 + r += 1 # thermodynamic properties @@ -73,7 +73,7 @@ class SpeciesInfo(Label): p.grid(row=r,column=1,sticky=W) p.v.config(state=DISABLED,bg='lightgray') self.prop.append(p) - r = r + 1 + r += 1 tmin = self.sp.minTemp tmax = self.sp.maxTemp @@ -100,7 +100,7 @@ class SpeciesInfo(Label): self.cpdata.append((t,self.sp.cp_R(t))) self.hdata.append((t,self.sp.enthalpy_RT(t))) self.sdata.append((t,self.sp.entropy_R(t))) - t = t + n + t += n # specific heat @@ -210,8 +210,8 @@ class SpeciesInfo(Label): ymax = ymax*1.1 dy = abs(ymax - ymin) else: - ymin = ymin - 0.1*dy - ymax = ymax + 0.1*dy + ymin -= 0.1*dy + ymax += 0.1*dy dy = abs(ymax - ymin) p10 = math.floor(math.log10(0.1*dy)) @@ -220,7 +220,7 @@ class SpeciesInfo(Label): i = 0 while dy/fctr > 5: fctr = mm[i % 3]*fctr - i = i + 1 + i += 1 ymin = fctr*math.floor(ymin/fctr) ymax = fctr*(math.floor(ymax/fctr + 1)) return (ymin, ymax, fctr) @@ -241,7 +241,7 @@ class SpeciesInfo(Label): plot.join([(tmax - 0.05*(tmax - tmin), ytick, 'gray')]) plot.last_points = [] - ytick = ytick + dtick + ytick += dtick def finished(self,event=None): self.new.destroy() diff --git a/interfaces/cython/cantera/mixmaster/UnitChooser.py b/interfaces/cython/cantera/mixmaster/UnitChooser.py index 16b0e2e45..c26526c81 100644 --- a/interfaces/cython/cantera/mixmaster/UnitChooser.py +++ b/interfaces/cython/cantera/mixmaster/UnitChooser.py @@ -57,11 +57,11 @@ class UnitVar(Frame): value=each, command=self.update, ).grid(column=c, row=r, sticky=W) - r=r+1 + r += 1 if (r>10): r=0 - c=c+1 - r=r+1 + c += 1 + r += 1 b=Button(self.new,text='OK',command=self.finished, default=ACTIVE) b.grid(column=c, row=r) diff --git a/interfaces/cython/cantera/mixmaster/Units/unit.py b/interfaces/cython/cantera/mixmaster/Units/unit.py index b8096a168..cf9270511 100644 --- a/interfaces/cython/cantera/mixmaster/Units/unit.py +++ b/interfaces/cython/cantera/mixmaster/Units/unit.py @@ -103,9 +103,9 @@ class unit(object): exponent = self.derivation[i] if exponent == 0: continue if exponent == 1: - str = str + " %s" % (self._labels[i]) + str += " %s" % (self._labels[i]) else: - str = str + " %s^%d" % (self._labels[i], exponent) + str += " %s^%d" % (self._labels[i], exponent) return str diff --git a/src/equil/ChemEquil.cpp b/src/equil/ChemEquil.cpp index a35195f15..748729a80 100644 --- a/src/equil/ChemEquil.cpp +++ b/src/equil/ChemEquil.cpp @@ -531,7 +531,7 @@ int ChemEquil::equilibrate(thermo_t& s, const char* XYstr, dt = 0.5*((t0) + tmaxPhase) - t0; } // update the T estimate - t0 = t0 + dt; + t0 += dt; if (t0 <= tminPhase || t0 >= tmaxPhase || t0 < 100.0) { throw CanteraError("ChemEquil::equilibrate", "T out of bounds"); } diff --git a/src/equil/vcs_prep.cpp b/src/equil/vcs_prep.cpp index c5a8bcedd..f993d47a4 100644 --- a/src/equil/vcs_prep.cpp +++ b/src/equil/vcs_prep.cpp @@ -225,7 +225,7 @@ bool VCS_SOLVE::vcs_wellPosed(VCS_PROB* vprob) { double sum = 0.0; for (size_t e = 0; e < vprob->ne; e++) { - sum = sum + vprob->gai[e]; + sum += vprob->gai[e]; } if (sum < 1.0E-20) { plogf("vcs_wellPosed: Element abundance is close to zero\n"); diff --git a/src/thermo/HMWSoln.cpp b/src/thermo/HMWSoln.cpp index daa2bd151..421ac87ba 100644 --- a/src/thermo/HMWSoln.cpp +++ b/src/thermo/HMWSoln.cpp @@ -1936,14 +1936,14 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const * and the other is negative */ if (charge(i)*charge(j) < 0) { - F = F + molality[i]*molality[j] * BprimeMX[counterIJ]; + F += molality[i]*molality[j] * BprimeMX[counterIJ]; } /* * Both species have a non-zero charge, and they * have the same sign */ if (charge(i)*charge(j) > 0) { - F = F + molality[i]*molality[j] * Phiprime[counterIJ]; + F += molality[i]*molality[j] * Phiprime[counterIJ]; } if (DEBUG_MODE_ENABLED && m_debugCalc) { printf(" F = %10.6f \n", F); @@ -1984,8 +1984,8 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const if (charge(j) < 0.0) { // sum over all anions - sum1 = sum1 + molality[j]* - (2.0*BMX[counterIJ] + molarcharge*CMX[counterIJ]); + sum1 += molality[j] * + (2.0*BMX[counterIJ] + molarcharge*CMX[counterIJ]); if (DEBUG_MODE_ENABLED && m_debugCalc) { std::string snj = speciesName(j) + ":"; printf(" Bin term with %-13s 2 m_j BMX = %10.5f\n", snj.c_str(), @@ -2003,7 +2003,7 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const // an inner sum over all anions if (charge(k) < 0.0) { n = k + j * m_kk + i * m_kk * m_kk; - sum3 = sum3 + molality[j]*molality[k]*psi_ijk[n]; + sum3 += molality[j]*molality[k]*psi_ijk[n]; if (DEBUG_MODE_ENABLED && m_debugCalc) { if (psi_ijk[n] != 0.0) { std::string snj = speciesName(j) + "," + speciesName(k) + ":"; @@ -2019,7 +2019,7 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const if (charge(j) > 0.0) { // sum over all cations if (j != i) { - sum2 = sum2 + molality[j]*(2.0*Phi[counterIJ]); + sum2 += molality[j]*(2.0*Phi[counterIJ]); if (DEBUG_MODE_ENABLED && m_debugCalc) { if ((molality[j] * Phi[counterIJ])!= 0.0) { std::string snj = speciesName(j) + ":"; @@ -2032,7 +2032,7 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const if (charge(k) < 0.0) { // two inner sums over anions n = k + j * m_kk + i * m_kk * m_kk; - sum2 = sum2 + molality[j]*molality[k]*psi_ijk[n]; + sum2 += molality[j]*molality[k]*psi_ijk[n]; if (DEBUG_MODE_ENABLED && m_debugCalc) { if (psi_ijk[n] != 0.0) { std::string snj = speciesName(j) + "," + speciesName(k) + ":"; @@ -2045,7 +2045,7 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const */ n = m_kk*j + k; size_t counterIJ2 = m_CounterIJ[n]; - sum4 = sum4 + (fabs(charge(i))* + sum4 += (fabs(charge(i))* molality[j]*molality[k]*CMX[counterIJ2]); if (DEBUG_MODE_ENABLED && m_debugCalc) { if ((molality[j]*molality[k]*CMX[counterIJ2]) != 0.0) { @@ -2062,7 +2062,7 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const * Handle neutral j species */ if (charge(j) == 0) { - sum5 = sum5 + molality[j]*2.0*m_Lambda_nj(j,i); + sum5 += molality[j]*2.0*m_Lambda_nj(j,i); if (DEBUG_MODE_ENABLED && m_debugCalc) { if ((molality[j]*2.0*m_Lambda_nj(j,i)) != 0.0) { std::string snj = speciesName(j) + ":"; @@ -2080,7 +2080,7 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const n = izeta * m_kk * m_kk + jzeta * m_kk + k; double zeta = psi_ijk[n]; if (zeta != 0.0) { - sum5 = sum5 + molality[j]*molality[k]*zeta; + sum5 += molality[j]*molality[k]*zeta; if (DEBUG_MODE_ENABLED && m_debugCalc) { std::string snj = speciesName(j) + "," + speciesName(k) + ":"; printf(" Zeta term on %-16s m_n m_a zeta_nMa = %10.5f\n", snj.c_str(), @@ -2135,7 +2135,7 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const * For Anions, do the cation interactions. */ if (charge(j) > 0) { - sum1 = sum1 + molality[j]* + sum1 += molality[j]* (2.0*BMX[counterIJ]+molarcharge*CMX[counterIJ]); if (DEBUG_MODE_ENABLED && m_debugCalc) { std::string snj = speciesName(j) + ":"; @@ -2149,7 +2149,7 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const // an inner sum over all cations if (charge(k) > 0) { n = k + j * m_kk + i * m_kk * m_kk; - sum3 = sum3 + molality[j]*molality[k]*psi_ijk[n]; + sum3 += molality[j]*molality[k]*psi_ijk[n]; if (DEBUG_MODE_ENABLED && m_debugCalc) { if (psi_ijk[n] != 0.0) { std::string snj = speciesName(j) + "," + speciesName(k) + ":"; @@ -2168,7 +2168,7 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const if (charge(j) < 0.0) { // sum over all anions if (j != i) { - sum2 = sum2 + molality[j]*(2.0*Phi[counterIJ]); + sum2 += molality[j]*(2.0*Phi[counterIJ]); if (DEBUG_MODE_ENABLED && m_debugCalc) { if ((molality[j] * Phi[counterIJ])!= 0.0) { std::string snj = speciesName(j) + ":"; @@ -2181,7 +2181,7 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const if (charge(k) > 0.0) { // two inner sums over cations n = k + j * m_kk + i * m_kk * m_kk; - sum2 = sum2 + molality[j]*molality[k]*psi_ijk[n]; + sum2 += molality[j]*molality[k]*psi_ijk[n]; if (DEBUG_MODE_ENABLED && m_debugCalc) { if (psi_ijk[n] != 0.0) { std::string snj = speciesName(j) + "," + speciesName(k) + ":"; @@ -2194,9 +2194,8 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const */ n = m_kk*j + k; size_t counterIJ2 = m_CounterIJ[n]; - sum4 = sum4 + - (fabs(charge(i))* - molality[j]*molality[k]*CMX[counterIJ2]); + sum4 += fabs(charge(i))* + molality[j]*molality[k]*CMX[counterIJ2]; if (DEBUG_MODE_ENABLED && m_debugCalc) { if ((molality[j]*molality[k]*CMX[counterIJ2]) != 0.0) { std::string snj = speciesName(j) + "," + speciesName(k) + ":"; @@ -2212,7 +2211,7 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const * for Anions, do the neutral species interaction */ if (charge(j) == 0.0) { - sum5 = sum5 + molality[j]*2.0*m_Lambda_nj(j,i); + sum5 += molality[j]*2.0*m_Lambda_nj(j,i); if (DEBUG_MODE_ENABLED && m_debugCalc) { if ((molality[j]*2.0*m_Lambda_nj(j,i)) != 0.0) { std::string snj = speciesName(j) + ":"; @@ -2231,7 +2230,7 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const n = izeta * m_kk * m_kk + jzeta * m_kk + kzeta; double zeta = psi_ijk[n]; if (zeta != 0.0) { - sum5 = sum5 + molality[j]*molality[k]*zeta; + sum5 += molality[j]*molality[k]*zeta; if (DEBUG_MODE_ENABLED && m_debugCalc) { std::string snj = speciesName(j) + "," + speciesName(k) + ":"; printf(" Zeta term on %-16s m_n m_c zeta_ncX = %10.5f\n", snj.c_str(), @@ -2263,7 +2262,7 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const double sum1 = 0.0; double sum3 = 0.0; for (size_t j = 1; j < m_kk; j++) { - sum1 = sum1 + molality[j]*2.0*m_Lambda_nj(i,j); + sum1 += molality[j]*2.0*m_Lambda_nj(i,j); if (DEBUG_MODE_ENABLED && m_debugCalc) { if (m_Lambda_nj(i,j) != 0.0) { std::string snj = speciesName(j) + ":"; @@ -2278,7 +2277,7 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const for (size_t k = 1; k < m_kk; k++) { if (charge(k) < 0.0) { size_t n = k + j * m_kk + i * m_kk * m_kk; - sum3 = sum3 + molality[j]*molality[k]*psi_ijk[n]; + sum3 += molality[j]*molality[k]*psi_ijk[n]; if (DEBUG_MODE_ENABLED && m_debugCalc) { if (psi_ijk[n] != 0.0) { std::string snj = speciesName(j) + "," + speciesName(k) + ":"; @@ -2343,8 +2342,8 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const size_t n = m_kk*j + k; size_t counterIJ = m_CounterIJ[n]; - sum1 = sum1 + molality[j]*molality[k]* - (BphiMX[counterIJ] + molarcharge*CMX[counterIJ]); + sum1 += molality[j]*molality[k]* + (BphiMX[counterIJ] + molarcharge*CMX[counterIJ]); } } @@ -2361,13 +2360,12 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const */ size_t n = m_kk*j + k; size_t counterIJ = m_CounterIJ[n]; - sum2 = sum2 + molality[j]*molality[k]*Phiphi[counterIJ]; + sum2 += molality[j]*molality[k]*Phiphi[counterIJ]; for (size_t m = 1; m < m_kk; m++) { if (charge(m) < 0.0) { // species m is an anion n = m + k * m_kk + j * m_kk * m_kk; - sum2 = sum2 + - molality[j]*molality[k]*molality[m]*psi_ijk[n]; + sum2 += molality[j]*molality[k]*molality[m]*psi_ijk[n]; } } } @@ -2391,12 +2389,11 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const */ size_t n = m_kk*j + k; size_t counterIJ = m_CounterIJ[n]; - sum3 = sum3 + molality[j]*molality[k]*Phiphi[counterIJ]; + sum3 += molality[j]*molality[k]*Phiphi[counterIJ]; for (size_t m = 1; m < m_kk; m++) { if (charge(m) > 0.0) { n = m + k * m_kk + j * m_kk * m_kk; - sum3 = sum3 + - molality[j]*molality[k]*molality[m]*psi_ijk[n]; + sum3 += molality[j]*molality[k]*molality[m]*psi_ijk[n]; } } } @@ -2409,16 +2406,16 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const if (charge(j) == 0) { for (size_t k = 1; k < m_kk; k++) { if (charge(k) < 0.0) { - sum4 = sum4 + molality[j]*molality[k]*m_Lambda_nj(j,k); + sum4 += molality[j]*molality[k]*m_Lambda_nj(j,k); } if (charge(k) > 0.0) { - sum5 = sum5 + molality[j]*molality[k]*m_Lambda_nj(j,k); + sum5 += molality[j]*molality[k]*m_Lambda_nj(j,k); } if (charge(k) == 0.0) { if (k > j) { - sum6 = sum6 + molality[j]*molality[k]*m_Lambda_nj(j,k); + sum6 += molality[j]*molality[k]*m_Lambda_nj(j,k); } else if (k == j) { - sum6 = sum6 + 0.5 * molality[j]*molality[k]*m_Lambda_nj(j,k); + sum6 += 0.5 * molality[j]*molality[k]*m_Lambda_nj(j,k); } } if (charge(k) < 0.0) { @@ -2840,14 +2837,14 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const * and the other is negative */ if (charge(i)*charge(j) < 0) { - dFdT = dFdT + molality[i]*molality[j] * BprimeMX_L[counterIJ]; + dFdT += molality[i]*molality[j] * BprimeMX_L[counterIJ]; } /* * Both species have a non-zero charge, and they * have the same sign, e.g., both positive or both negative. */ if (charge(i)*charge(j) > 0) { - dFdT = dFdT + molality[i]*molality[j] * Phiprime[counterIJ]; + dFdT += molality[i]*molality[j] * Phiprime[counterIJ]; } if (DEBUG_MODE_ENABLED && m_debugCalc) { printf(" dFdT = %10.6f \n", dFdT); @@ -2879,8 +2876,8 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const if (charge(j) < 0.0) { // sum over all anions - sum1 = sum1 + molality[j]* - (2.0*BMX_L[counterIJ] + molarcharge*CMX_L[counterIJ]); + sum1 += molality[j]* + (2.0*BMX_L[counterIJ] + molarcharge*CMX_L[counterIJ]); if (j < m_kk-1) { /* * This term is the ternary interaction involving the @@ -2891,7 +2888,7 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const // an inner sum over all anions if (charge(k) < 0.0) { n = k + j * m_kk + i * m_kk * m_kk; - sum3 = sum3 + molality[j]*molality[k]*psi_ijk_L[n]; + sum3 += molality[j]*molality[k]*psi_ijk_L[n]; } } } @@ -2900,20 +2897,20 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const if (charge(j) > 0.0) { // sum over all cations if (j != i) { - sum2 = sum2 + molality[j]*(2.0*Phi_L[counterIJ]); + sum2 += molality[j]*(2.0*Phi_L[counterIJ]); } for (size_t k = 1; k < m_kk; k++) { if (charge(k) < 0.0) { // two inner sums over anions n = k + j * m_kk + i * m_kk * m_kk; - sum2 = sum2 + molality[j]*molality[k]*psi_ijk_L[n]; + sum2 += molality[j]*molality[k]*psi_ijk_L[n]; /* * Find the counterIJ for the j,k interaction */ n = m_kk*j + k; size_t counterIJ2 = m_CounterIJ[n]; - sum4 = sum4 + (fabs(charge(i))* - molality[j]*molality[k]*CMX_L[counterIJ2]); + sum4 += fabs(charge(i))* + molality[j]*molality[k]*CMX_L[counterIJ2]; } } } @@ -2922,7 +2919,7 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const * Handle neutral j species */ if (charge(j) == 0) { - sum5 = sum5 + molality[j]*2.0*m_Lambda_nj_L(j,i); + sum5 += molality[j]*2.0*m_Lambda_nj_L(j,i); } /* * Zeta interaction term @@ -2934,7 +2931,7 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const n = izeta * m_kk * m_kk + jzeta * m_kk + k; double zeta_L = psi_ijk_L[n]; if (zeta_L != 0.0) { - sum5 = sum5 + molality[j]*molality[k]*zeta_L; + sum5 += molality[j]*molality[k]*zeta_L; } } } @@ -2977,14 +2974,14 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const * For Anions, do the cation interactions. */ if (charge(j) > 0) { - sum1 = sum1 + molality[j]* - (2.0*BMX_L[counterIJ] + molarcharge*CMX_L[counterIJ]); + sum1 += molality[j]* + (2.0*BMX_L[counterIJ] + molarcharge*CMX_L[counterIJ]); if (j < m_kk-1) { for (size_t k = j+1; k < m_kk; k++) { // an inner sum over all cations if (charge(k) > 0) { n = k + j * m_kk + i * m_kk * m_kk; - sum3 = sum3 + molality[j]*molality[k]*psi_ijk_L[n]; + sum3 += molality[j]*molality[k]*psi_ijk_L[n]; } } } @@ -2996,21 +2993,20 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const if (charge(j) < 0.0) { // sum over all anions if (j != i) { - sum2 = sum2 + molality[j]*(2.0*Phi_L[counterIJ]); + sum2 += molality[j]*(2.0*Phi_L[counterIJ]); } for (size_t k = 1; k < m_kk; k++) { if (charge(k) > 0.0) { // two inner sums over cations n = k + j * m_kk + i * m_kk * m_kk; - sum2 = sum2 + molality[j]*molality[k]*psi_ijk_L[n]; + sum2 += molality[j]*molality[k]*psi_ijk_L[n]; /* * Find the counterIJ for the symmetric binary interaction */ n = m_kk*j + k; size_t counterIJ2 = m_CounterIJ[n]; - sum4 = sum4 + - (fabs(charge(i))* - molality[j]*molality[k]*CMX_L[counterIJ2]); + sum4 += fabs(charge(i)) * + molality[j]*molality[k]*CMX_L[counterIJ2]; } } } @@ -3019,7 +3015,7 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const * for Anions, do the neutral species interaction */ if (charge(j) == 0.0) { - sum5 = sum5 + molality[j]*2.0*m_Lambda_nj_L(j,i); + sum5 += molality[j]*2.0*m_Lambda_nj_L(j,i); for (size_t k = 1; k < m_kk; k++) { if (charge(k) > 0.0) { size_t izeta = j; @@ -3028,7 +3024,7 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const n = izeta * m_kk * m_kk + jzeta * m_kk + kzeta; double zeta_L = psi_ijk_L[n]; if (zeta_L != 0.0) { - sum5 = sum5 + molality[j]*molality[k]*zeta_L; + sum5 += molality[j]*molality[k]*zeta_L; } } } @@ -3054,7 +3050,7 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const double sum1 = 0.0; double sum3 = 0.0; for (size_t j = 1; j < m_kk; j++) { - sum1 = sum1 + molality[j]*2.0*m_Lambda_nj_L(i,j); + sum1 += molality[j]*2.0*m_Lambda_nj_L(i,j); /* * Zeta term -> we piggyback on the psi term */ @@ -3062,7 +3058,7 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const for (size_t k = 1; k < m_kk; k++) { if (charge(k) < 0.0) { size_t n = k + j * m_kk + i * m_kk * m_kk; - sum3 = sum3 + molality[j]*molality[k]*psi_ijk_L[n]; + sum3 += molality[j]*molality[k]*psi_ijk_L[n]; } } } @@ -3113,8 +3109,8 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const */ size_t n = m_kk*j + k; size_t counterIJ = m_CounterIJ[n]; - sum1 = sum1 + molality[j]*molality[k]* - (BphiMX_L[counterIJ] + molarcharge*CMX_L[counterIJ]); + sum1 += molality[j]*molality[k]* + (BphiMX_L[counterIJ] + molarcharge*CMX_L[counterIJ]); } } @@ -3131,13 +3127,12 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const */ size_t n = m_kk*j + k; size_t counterIJ = m_CounterIJ[n]; - sum2 = sum2 + molality[j]*molality[k]*Phiphi_L[counterIJ]; + sum2 += molality[j]*molality[k]*Phiphi_L[counterIJ]; for (size_t m = 1; m < m_kk; m++) { if (charge(m) < 0.0) { // species m is an anion n = m + k * m_kk + j * m_kk * m_kk; - sum2 = sum2 + - molality[j]*molality[k]*molality[m]*psi_ijk_L[n]; + sum2 += molality[j]*molality[k]*molality[m]*psi_ijk_L[n]; } } } @@ -3161,12 +3156,11 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const */ size_t n = m_kk*j + k; size_t counterIJ = m_CounterIJ[n]; - sum3 = sum3 + molality[j]*molality[k]*Phiphi_L[counterIJ]; + sum3 += molality[j]*molality[k]*Phiphi_L[counterIJ]; for (size_t m = 1; m < m_kk; m++) { if (charge(m) > 0.0) { n = m + k * m_kk + j * m_kk * m_kk; - sum3 = sum3 + - molality[j]*molality[k]*molality[m]*psi_ijk_L[n]; + sum3 += molality[j]*molality[k]*molality[m]*psi_ijk_L[n]; } } } @@ -3179,16 +3173,16 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dT() const if (charge(j) == 0) { for (size_t k = 1; k < m_kk; k++) { if (charge(k) < 0.0) { - sum4 = sum4 + molality[j]*molality[k]*m_Lambda_nj_L(j,k); + sum4 += molality[j]*molality[k]*m_Lambda_nj_L(j,k); } if (charge(k) > 0.0) { - sum5 = sum5 + molality[j]*molality[k]*m_Lambda_nj_L(j,k); + sum5 += molality[j]*molality[k]*m_Lambda_nj_L(j,k); } if (charge(k) == 0.0) { if (k > j) { - sum6 = sum6 + molality[j]*molality[k]*m_Lambda_nj_L(j,k); + sum6 += molality[j]*molality[k]*m_Lambda_nj_L(j,k); } else if (k == j) { - sum6 = sum6 + 0.5 * molality[j]*molality[k]*m_Lambda_nj_L(j,k); + sum6 += 0.5 * molality[j]*molality[k]*m_Lambda_nj_L(j,k); } } if (charge(k) < 0.0) { @@ -3597,14 +3591,14 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const * and the other is negative */ if (charge(i)*charge(j) < 0) { - d2FdT2 = d2FdT2 + molality[i]*molality[j] * BprimeMX_LL[counterIJ]; + d2FdT2 += molality[i]*molality[j] * BprimeMX_LL[counterIJ]; } /* * Both species have a non-zero charge, and they * have the same sign, e.g., both positive or both negative. */ if (charge(i)*charge(j) > 0) { - d2FdT2 = d2FdT2 + molality[i]*molality[j] * Phiprime[counterIJ]; + d2FdT2 += molality[i]*molality[j] * Phiprime[counterIJ]; } if (DEBUG_MODE_ENABLED && m_debugCalc) { printf(" d2FdT2 = %10.6f \n", d2FdT2); @@ -3636,8 +3630,8 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const if (charge(j) < 0.0) { // sum over all anions - sum1 = sum1 + molality[j]* - (2.0*BMX_LL[counterIJ] + molarcharge*CMX_LL[counterIJ]); + sum1 += molality[j]* + (2.0*BMX_LL[counterIJ] + molarcharge*CMX_LL[counterIJ]); if (j < m_kk-1) { /* * This term is the ternary interaction involving the @@ -3648,7 +3642,7 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const // an inner sum over all anions if (charge(k) < 0.0) { n = k + j * m_kk + i * m_kk * m_kk; - sum3 = sum3 + molality[j]*molality[k]*psi_ijk_LL[n]; + sum3 += molality[j]*molality[k]*psi_ijk_LL[n]; } } } @@ -3657,20 +3651,20 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const if (charge(j) > 0.0) { // sum over all cations if (j != i) { - sum2 = sum2 + molality[j]*(2.0*Phi_LL[counterIJ]); + sum2 += molality[j]*(2.0*Phi_LL[counterIJ]); } for (size_t k = 1; k < m_kk; k++) { if (charge(k) < 0.0) { // two inner sums over anions n = k + j * m_kk + i * m_kk * m_kk; - sum2 = sum2 + molality[j]*molality[k]*psi_ijk_LL[n]; + sum2 += molality[j]*molality[k]*psi_ijk_LL[n]; /* * Find the counterIJ for the j,k interaction */ n = m_kk*j + k; size_t counterIJ2 = m_CounterIJ[n]; - sum4 = sum4 + (fabs(charge(i))* - molality[j]*molality[k]*CMX_LL[counterIJ2]); + sum4 += fabs(charge(i)) * + molality[j]*molality[k]*CMX_LL[counterIJ2]; } } } @@ -3679,7 +3673,7 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const * Handle neutral j species */ if (charge(j) == 0) { - sum5 = sum5 + molality[j]*2.0*m_Lambda_nj_LL(j,i); + sum5 += molality[j]*2.0*m_Lambda_nj_LL(j,i); /* * Zeta interaction term */ @@ -3690,7 +3684,7 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const n = izeta * m_kk * m_kk + jzeta * m_kk + k; double zeta_LL = psi_ijk_LL[n]; if (zeta_LL != 0.0) { - sum5 = sum5 + molality[j]*molality[k]*zeta_LL; + sum5 += molality[j]*molality[k]*zeta_LL; } } } @@ -3733,14 +3727,14 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const * For Anions, do the cation interactions. */ if (charge(j) > 0) { - sum1 = sum1 + molality[j]* - (2.0*BMX_LL[counterIJ] + molarcharge*CMX_LL[counterIJ]); + sum1 += molality[j]* + (2.0*BMX_LL[counterIJ] + molarcharge*CMX_LL[counterIJ]); if (j < m_kk-1) { for (size_t k = j+1; k < m_kk; k++) { // an inner sum over all cations if (charge(k) > 0) { n = k + j * m_kk + i * m_kk * m_kk; - sum3 = sum3 + molality[j]*molality[k]*psi_ijk_LL[n]; + sum3 += molality[j]*molality[k]*psi_ijk_LL[n]; } } } @@ -3752,21 +3746,20 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const if (charge(j) < 0.0) { // sum over all anions if (j != i) { - sum2 = sum2 + molality[j]*(2.0*Phi_LL[counterIJ]); + sum2 += molality[j]*(2.0*Phi_LL[counterIJ]); } for (size_t k = 1; k < m_kk; k++) { if (charge(k) > 0.0) { // two inner sums over cations n = k + j * m_kk + i * m_kk * m_kk; - sum2 = sum2 + molality[j]*molality[k]*psi_ijk_LL[n]; + sum2 += molality[j]*molality[k]*psi_ijk_LL[n]; /* * Find the counterIJ for the symmetric binary interaction */ n = m_kk*j + k; size_t counterIJ2 = m_CounterIJ[n]; - sum4 = sum4 + - (fabs(charge(i))* - molality[j]*molality[k]*CMX_LL[counterIJ2]); + sum4 += fabs(charge(i)) * + molality[j]*molality[k]*CMX_LL[counterIJ2]; } } } @@ -3775,7 +3768,7 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const * for Anions, do the neutral species interaction */ if (charge(j) == 0.0) { - sum5 = sum5 + molality[j]*2.0*m_Lambda_nj_LL(j,i); + sum5 += molality[j]*2.0*m_Lambda_nj_LL(j,i); /* * Zeta interaction term */ @@ -3787,7 +3780,7 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const n = izeta * m_kk * m_kk + jzeta * m_kk + kzeta; double zeta_LL = psi_ijk_LL[n]; if (zeta_LL != 0.0) { - sum5 = sum5 + molality[j]*molality[k]*zeta_LL; + sum5 += molality[j]*molality[k]*zeta_LL; } } } @@ -3812,7 +3805,7 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const double sum1 = 0.0; double sum3 = 0.0; for (size_t j = 1; j < m_kk; j++) { - sum1 = sum1 + molality[j]*2.0*m_Lambda_nj_LL(i,j); + sum1 += molality[j]*2.0*m_Lambda_nj_LL(i,j); /* * Zeta term -> we piggyback on the psi term */ @@ -3820,7 +3813,7 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const for (size_t k = 1; k < m_kk; k++) { if (charge(k) < 0.0) { size_t n = k + j * m_kk + i * m_kk * m_kk; - sum3 = sum3 + molality[j]*molality[k]*psi_ijk_LL[n]; + sum3 += molality[j]*molality[k]*psi_ijk_LL[n]; } } } @@ -3872,8 +3865,8 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const size_t n = m_kk*j + k; size_t counterIJ = m_CounterIJ[n]; - sum1 = sum1 + molality[j]*molality[k]* - (BphiMX_LL[counterIJ] + molarcharge*CMX_LL[counterIJ]); + sum1 += molality[j]*molality[k] * + (BphiMX_LL[counterIJ] + molarcharge*CMX_LL[counterIJ]); } } @@ -3890,13 +3883,12 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const */ size_t n = m_kk*j + k; size_t counterIJ = m_CounterIJ[n]; - sum2 = sum2 + molality[j]*molality[k]*Phiphi_LL[counterIJ]; + sum2 += molality[j]*molality[k]*Phiphi_LL[counterIJ]; for (size_t m = 1; m < m_kk; m++) { if (charge(m) < 0.0) { // species m is an anion n = m + k * m_kk + j * m_kk * m_kk; - sum2 = sum2 + - molality[j]*molality[k]*molality[m]*psi_ijk_LL[n]; + sum2 += molality[j]*molality[k]*molality[m]*psi_ijk_LL[n]; } } } @@ -3921,12 +3913,11 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const size_t n = m_kk*j + k; size_t counterIJ = m_CounterIJ[n]; - sum3 = sum3 + molality[j]*molality[k]*Phiphi_LL[counterIJ]; + sum3 += molality[j]*molality[k]*Phiphi_LL[counterIJ]; for (size_t m = 1; m < m_kk; m++) { if (charge(m) > 0.0) { n = m + k * m_kk + j * m_kk * m_kk; - sum3 = sum3 + - molality[j]*molality[k]*molality[m]*psi_ijk_LL[n]; + sum3 += molality[j]*molality[k]*molality[m]*psi_ijk_LL[n]; } } } @@ -3939,16 +3930,16 @@ void HMWSoln::s_updatePitzer_d2lnMolalityActCoeff_dT2() const if (charge(j) == 0) { for (size_t k = 1; k < m_kk; k++) { if (charge(k) < 0.0) { - sum4 = sum4 + molality[j]*molality[k]*m_Lambda_nj_LL(j,k); + sum4 += molality[j]*molality[k]*m_Lambda_nj_LL(j,k); } if (charge(k) > 0.0) { - sum5 = sum5 + molality[j]*molality[k]*m_Lambda_nj_LL(j,k); + sum5 += molality[j]*molality[k]*m_Lambda_nj_LL(j,k); } if (charge(k) == 0.0) { if (k > j) { - sum6 = sum6 + molality[j]*molality[k]*m_Lambda_nj_LL(j,k); + sum6 += molality[j]*molality[k]*m_Lambda_nj_LL(j,k); } else if (k == j) { - sum6 = sum6 + 0.5 * molality[j]*molality[k]*m_Lambda_nj_LL(j,k); + sum6 += 0.5 * molality[j]*molality[k]*m_Lambda_nj_LL(j,k); } } if (charge(k) < 0.0) { @@ -4355,14 +4346,14 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dP() const * and the other is negative */ if (charge(i)*charge(j) < 0) { - dFdP = dFdP + molality[i]*molality[j] * BprimeMX_P[counterIJ]; + dFdP += molality[i]*molality[j] * BprimeMX_P[counterIJ]; } /* * Both species have a non-zero charge, and they * have the same sign, e.g., both positive or both negative. */ if (charge(i)*charge(j) > 0) { - dFdP = dFdP + molality[i]*molality[j] * Phiprime[counterIJ]; + dFdP += molality[i]*molality[j] * Phiprime[counterIJ]; } if (DEBUG_MODE_ENABLED && m_debugCalc) { printf(" dFdP = %10.6f \n", dFdP); @@ -4394,8 +4385,8 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dP() const if (charge(j) < 0.0) { // sum over all anions - sum1 = sum1 + molality[j]* - (2.0*BMX_P[counterIJ] + molarcharge*CMX_P[counterIJ]); + sum1 += molality[j]* + (2.0*BMX_P[counterIJ] + molarcharge*CMX_P[counterIJ]); if (j < m_kk-1) { /* * This term is the ternary interaction involving the @@ -4406,7 +4397,7 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dP() const // an inner sum over all anions if (charge(k) < 0.0) { n = k + j * m_kk + i * m_kk * m_kk; - sum3 = sum3 + molality[j]*molality[k]*psi_ijk_P[n]; + sum3 += molality[j]*molality[k]*psi_ijk_P[n]; } } } @@ -4415,21 +4406,21 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dP() const if (charge(j) > 0.0) { // sum over all cations if (j != i) { - sum2 = sum2 + molality[j]*(2.0*Phi_P[counterIJ]); + sum2 += molality[j]*(2.0*Phi_P[counterIJ]); } for (size_t k = 1; k < m_kk; k++) { if (charge(k) < 0.0) { // two inner sums over anions n = k + j * m_kk + i * m_kk * m_kk; - sum2 = sum2 + molality[j]*molality[k]*psi_ijk_P[n]; + sum2 += molality[j]*molality[k]*psi_ijk_P[n]; /* * Find the counterIJ for the j,k interaction */ n = m_kk*j + k; size_t counterIJ2 = m_CounterIJ[n]; - sum4 = sum4 + (fabs(charge(i))* - molality[j]*molality[k]*CMX_P[counterIJ2]); + sum4 += fabs(charge(i)) * + molality[j]*molality[k]*CMX_P[counterIJ2]; } } } @@ -4438,7 +4429,7 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dP() const * for Anions, do the neutral species interaction */ if (charge(j) == 0) { - sum5 = sum5 + molality[j]*2.0*m_Lambda_nj_P(j,i); + sum5 += molality[j]*2.0*m_Lambda_nj_P(j,i); /* * Zeta interaction term */ @@ -4449,7 +4440,7 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dP() const n = izeta * m_kk * m_kk + jzeta * m_kk + k; double zeta_P = psi_ijk_P[n]; if (zeta_P != 0.0) { - sum5 = sum5 + molality[j]*molality[k]*zeta_P; + sum5 += molality[j]*molality[k]*zeta_P; } } } @@ -4494,14 +4485,14 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dP() const * For Anions, do the cation interactions. */ if (charge(j) > 0) { - sum1 = sum1 + molality[j]* - (2.0*BMX_P[counterIJ] + molarcharge*CMX_P[counterIJ]); + sum1 += molality[j] * + (2.0*BMX_P[counterIJ] + molarcharge*CMX_P[counterIJ]); if (j < m_kk-1) { for (size_t k = j+1; k < m_kk; k++) { // an inner sum over all cations if (charge(k) > 0) { n = k + j * m_kk + i * m_kk * m_kk; - sum3 = sum3 + molality[j]*molality[k]*psi_ijk_P[n]; + sum3 += molality[j]*molality[k]*psi_ijk_P[n]; } } } @@ -4513,21 +4504,20 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dP() const if (charge(j) < 0.0) { // sum over all anions if (j != i) { - sum2 = sum2 + molality[j]*(2.0*Phi_P[counterIJ]); + sum2 += molality[j]*(2.0*Phi_P[counterIJ]); } for (size_t k = 1; k < m_kk; k++) { if (charge(k) > 0.0) { // two inner sums over cations n = k + j * m_kk + i * m_kk * m_kk; - sum2 = sum2 + molality[j]*molality[k]*psi_ijk_P[n]; + sum2 += molality[j]*molality[k]*psi_ijk_P[n]; /* * Find the counterIJ for the symmetric binary interaction */ n = m_kk*j + k; size_t counterIJ2 = m_CounterIJ[n]; - sum4 = sum4 + - (fabs(charge(i))* - molality[j]*molality[k]*CMX_P[counterIJ2]); + sum4 += fabs(charge(i))* + molality[j]*molality[k]*CMX_P[counterIJ2]; } } } @@ -4536,7 +4526,7 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dP() const * for Anions, do the neutral species interaction */ if (charge(j) == 0.0) { - sum5 = sum5 + molality[j]*2.0*m_Lambda_nj_P(j,i); + sum5 += molality[j]*2.0*m_Lambda_nj_P(j,i); /* * Zeta interaction term */ @@ -4548,7 +4538,7 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dP() const n = izeta * m_kk * m_kk + jzeta * m_kk + kzeta; double zeta_P = psi_ijk_P[n]; if (zeta_P != 0.0) { - sum5 = sum5 + molality[j]*molality[k]*zeta_P; + sum5 += molality[j]*molality[k]*zeta_P; } } } @@ -4580,7 +4570,7 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dP() const for (size_t k = 1; k < m_kk; k++) { if (charge(k) < 0.0) { size_t n = k + j * m_kk + i * m_kk * m_kk; - sum3 = sum3 + molality[j]*molality[k]*psi_ijk_P[n]; + sum3 += molality[j]*molality[k]*psi_ijk_P[n]; } } } @@ -4630,8 +4620,8 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dP() const */ size_t n = m_kk*j + k; size_t counterIJ = m_CounterIJ[n]; - sum1 = sum1 + molality[j]*molality[k]* - (BphiMX_P[counterIJ] + molarcharge*CMX_P[counterIJ]); + sum1 += molality[j]*molality[k]* + (BphiMX_P[counterIJ] + molarcharge*CMX_P[counterIJ]); } } @@ -4648,13 +4638,12 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dP() const */ size_t n = m_kk*j + k; size_t counterIJ = m_CounterIJ[n]; - sum2 = sum2 + molality[j]*molality[k]*Phiphi_P[counterIJ]; + sum2 += molality[j]*molality[k]*Phiphi_P[counterIJ]; for (size_t m = 1; m < m_kk; m++) { if (charge(m) < 0.0) { // species m is an anion n = m + k * m_kk + j * m_kk * m_kk; - sum2 = sum2 + - molality[j]*molality[k]*molality[m]*psi_ijk_P[n]; + sum2 += molality[j]*molality[k]*molality[m]*psi_ijk_P[n]; } } } @@ -4679,12 +4668,11 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dP() const size_t n = m_kk*j + k; size_t counterIJ = m_CounterIJ[n]; - sum3 = sum3 + molality[j]*molality[k]*Phiphi_P[counterIJ]; + sum3 += molality[j]*molality[k]*Phiphi_P[counterIJ]; for (size_t m = 1; m < m_kk; m++) { if (charge(m) > 0.0) { n = m + k * m_kk + j * m_kk * m_kk; - sum3 = sum3 + - molality[j]*molality[k]*molality[m]*psi_ijk_P[n]; + sum3 += molality[j]*molality[k]*molality[m]*psi_ijk_P[n]; } } } @@ -4697,16 +4685,16 @@ void HMWSoln::s_updatePitzer_dlnMolalityActCoeff_dP() const if (charge(j) == 0) { for (size_t k = 1; k < m_kk; k++) { if (charge(k) < 0.0) { - sum4 = sum4 + molality[j]*molality[k]*m_Lambda_nj_P(j,k); + sum4 += molality[j]*molality[k]*m_Lambda_nj_P(j,k); } if (charge(k) > 0.0) { - sum5 = sum5 + molality[j]*molality[k]*m_Lambda_nj_P(j,k); + sum5 += molality[j]*molality[k]*m_Lambda_nj_P(j,k); } if (charge(k) == 0.0) { if (k > j) { - sum6 = sum6 + molality[j]*molality[k]*m_Lambda_nj_P(j,k); + sum6 += molality[j]*molality[k]*m_Lambda_nj_P(j,k); } else if (k == j) { - sum6 = sum6 + 0.5 * molality[j]*molality[k]*m_Lambda_nj_P(j,k); + sum6 += 0.5 * molality[j]*molality[k]*m_Lambda_nj_P(j,k); } } if (charge(k) < 0.0) { diff --git a/src/thermo/WaterPropsIAPWSphi.cpp b/src/thermo/WaterPropsIAPWSphi.cpp index 755201dde..401e1a574 100644 --- a/src/thermo/WaterPropsIAPWSphi.cpp +++ b/src/thermo/WaterPropsIAPWSphi.cpp @@ -1039,7 +1039,7 @@ doublereal WaterPropsIAPWSphi::dfind(doublereal p_red, doublereal tau, double /* * updated the reduced density value */ - dd = dd + deldd; + dd += deldd; if (fabs(deldd/dd) < 1.0E-14) { conv = true; break; diff --git a/src/tpx/Sub.cpp b/src/tpx/Sub.cpp index e2076d8b0..002d21ded 100644 --- a/src/tpx/Sub.cpp +++ b/src/tpx/Sub.cpp @@ -41,7 +41,7 @@ double Substance::dPsdT() { double tsave = T; double ps1 = Ps(); - T = T + DeltaT; + T += DeltaT; double dpdt = (Ps() - ps1)/DeltaT; T = tsave; return dpdt; @@ -103,7 +103,7 @@ double Substance::Tsat(double p) if (dta > dtm) { dt = dt*dtm/dta; } - T = T + dt; + T += dt; LoopCount++; if (LoopCount > 100) { T = Tsave; diff --git a/test_problems/cathermo/HMW_graph_GvI/HMW_graph_GvI.cpp b/test_problems/cathermo/HMW_graph_GvI/HMW_graph_GvI.cpp index 2fd168021..bf6a03ed5 100644 --- a/test_problems/cathermo/HMW_graph_GvI/HMW_graph_GvI.cpp +++ b/test_problems/cathermo/HMW_graph_GvI/HMW_graph_GvI.cpp @@ -82,7 +82,7 @@ int main(int argc, char** argv) if (Is > 6.146) { Is = 6.146; doneSp = true; - i = i - 1; + i--; } } moll[i1] = Is; diff --git a/test_problems/cathermo/HMW_graph_GvT/HMW_graph_GvT.cpp b/test_problems/cathermo/HMW_graph_GvT/HMW_graph_GvT.cpp index 99c22a809..4ea411589 100644 --- a/test_problems/cathermo/HMW_graph_GvT/HMW_graph_GvT.cpp +++ b/test_problems/cathermo/HMW_graph_GvT/HMW_graph_GvT.cpp @@ -177,7 +177,7 @@ int main(int argc, char** argv) double Gibbs0_kgWater = molarGibbs0 / (Xmol[0] * Mo); double osm1 = HMW->osmoticCoefficient(); - osm1 = osm1 - 1.0; + osm1 -= 1.0; /* * Need the gas constant in kJ/gmolK */