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/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/src/equil/
H A Dvcs_solve_TP.cpp467 for (size_t irxn = 0; irxn < m_numRxnRdc; irxn++) { in solve_tp_inner() local
1122 for (size_t irxn = 0; irxn < m_numRxnRdc; irxn++) { in solve_tp_inner() local
1177 for (size_t irxn = 0; irxn < m_numRxnRdc; ++irxn) { in solve_tp_equilib_check() local
1218 for (size_t irxn = 0; irxn < m_numRxnRdc; ++irxn) { in solve_tp_equilib_check() local
1924 for (size_t irxn = 0; irxn < m_numRxnRdc; ++irxn) { in vcs_globStepDamp() local
1934 for (size_t irxn = 0; irxn < m_numRxnRdc; ++irxn) { in vcs_globStepDamp() local
2010 for (size_t irxn = 0; irxn < m_numRxnRdc; ++irxn) { in vcs_globStepDamp() local
2482 for (size_t irxn = 0; irxn < m_numRxnTot; ++irxn) { in vcs_basopt() local
2848 for (size_t irxn = 0; irxn < m_numRxnRdc; ++irxn) { in vcs_dfe() local
2941 for (size_t irxn = 0; irxn < m_numRxnRdc; ++irxn) { in l2normdg() local
[all …]
H A Dvcs_solve.cpp563 size_t irxn = kspec - m_numComponents; in vcs_popPhasePossible() local
733 size_t irxn = kspec - m_numComponents; in vcs_popPhaseRxnStepSizes() local
812 irxn = kspec - m_numComponents; in vcs_popPhaseRxnStepSizes()
904 for (size_t irxn = 0; irxn < m_numRxnRdc; ++irxn) { in vcs_RxnStepSizes() local
907 size_t kspec = m_indexRxnToSpecies[irxn]; in vcs_RxnStepSizes()
1281 m_deltaGRxn_Deficient[irxn] = m_deltaGRxn_old[irxn]; in vcs_phaseStabilityTest()
1817 size_t kspec = m_indexRxnToSpecies[irxn]; in vcs_Hessian_actCoeff_diag()
1983 for (size_t irxn = 0; irxn < m_numRxnTot; irxn++) { in vcs_report() local
2733 for (size_t irxn = 0; irxn < m_numRxnTot; irxn++) { in vcs_setMolesLinProg() local
2735 size_t ik = m_numComponents + irxn; in vcs_setMolesLinProg()
[all …]
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/interfaces/matlab/toolbox/@Kinetics/
H A DreactionEqn.m1 function e = reactionEqn(a, irxn)
3 % e = reactionEqn(a, irxn)
6 % returned in a cell array. Otherwise, ``irxn`` must be an integer
13 % :param irxn:
22 irxn = (1:m)'; variable
24 if isa(irxn,'double')
25 [m, n] = size(irxn);
32 e = kinetics_get(a.id, 31, irxn);
37 e{i, j} = kinetics_get(a.id, 31, irxn(i,j));
H A DsetMultiplier.m1 function setMultiplier(a, irxn, v)
3 % setMultiplier(a,irxn,v)
18 % :param irxn:
26 v = irxn;
28 irxn = (1:m)'; variable
31 [m, n] = size(irxn);
38 kinetics_set(a.id, 1, irxn(jm,jn), v);
H A Dmultiplier.m1 function n = multiplier(a,irxn)
3 % n = multiplier(a,irxn)
15 % :param irxn:
18 % Multiplier of the rate of progress of reaction number ``irxn``
21 n = kinetics_get(a.id, 2, irxn);
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/src/matlab/
H A Dkineticsmethods.cpp20 int kin, irxn; in kineticsmethods() local
51 irxn = getInt(prhs[3]); in kineticsmethods()
60 vv = kin_multiplier(kin, irxn-1); in kineticsmethods()
66 vv = kin_isReversible(kin,irxn-1); in kineticsmethods()
69 vv = kin_reactantStoichCoeff(kin, isp - 1, irxn-1); in kineticsmethods()
72 vv = kin_productStoichCoeff(kin, isp - 1, irxn-1); in kineticsmethods()
144 buflen = kin_getReactionString(kin, irxn-1, 0, 0); in kineticsmethods()
147 iok = kin_getReactionString(kin, irxn-1, buflen, buf); in kineticsmethods()
165 irxn = getInt(prhs[3]); in kineticsmethods()
172 iok = kin_setMultiplier(kin,irxn-1,v); in kineticsmethods()
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/include/cantera/kinetics/
H A DRateCoeffMgr.h91 double effectivePreExponentialFactor(size_t irxn) { in effectivePreExponentialFactor() argument
92 return m_rates[irxn].preExponentialFactor(); in effectivePreExponentialFactor()
103 double effectiveActivationEnergy_R(size_t irxn) { in effectiveActivationEnergy_R() argument
104 return m_rates[irxn].activationEnergy_R(); in effectiveActivationEnergy_R()
117 double effectiveTemperatureExponent(size_t irxn) { in effectiveTemperatureExponent() argument
118 return m_rates[irxn].temperatureExponent(); in effectiveTemperatureExponent()
H A DInterfaceKinetics.h130 doublereal electrochem_beta(size_t irxn) const;
153 double effectivePreExponentialFactor(size_t irxn) { in effectivePreExponentialFactor() argument
154 return m_rates.effectivePreExponentialFactor(irxn); in effectivePreExponentialFactor()
165 double effectiveActivationEnergy_R(size_t irxn) { in effectiveActivationEnergy_R() argument
166 return m_rates.effectiveActivationEnergy_R(irxn); in effectiveActivationEnergy_R()
178 double effectiveTemperatureExponent(size_t irxn) { in effectiveTemperatureExponent() argument
179 return m_rates.effectiveTemperatureExponent(irxn); in effectiveTemperatureExponent()
/dports/science/smoldyn/smoldyn-2.67/source/BioNetGen/Perl2/
H A DRxnList.pm341 my $irxn = 1;
344 …$out .= sprintf "%5d %s\n", $irxn, $rxn->toString( 0, $plist, $params->{'convert_intensive_to_exte…
345 ++$irxn;
354 my $irxn = 1;
357 …$out .= sprintf "%5d %s\n", $irxn, $rxn->toString( $text, $plist, $params->{'convert_intensive_to_…
358 ++$irxn;
H A DBNGOutput.pm2537 my $irxn = 1;
2543 --$S{ $r->Index }{$irxn};
2549 ++$S{ $p->Index }{$irxn};
2555 ++$irxn;
2564 foreach my $irxn ( sort { $a <=> $b } keys %{ $S{$ispec} } )
2567 my $s = $S{$ispec}{$irxn};
2583 printf $Lfile " %s %s", $mod, $fluxes[ $irxn - 1 ];
H A DBNGModel.pm1538 my $irxn = 1;
1560 ++$irxn;
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/src/kinetics/
H A DInterfaceKinetics.cpp146 size_t irxn = m_revindex[i]; in updateKc() local
147 if (irxn == npos || irxn >= nReactions()) { in updateKc()
152 m_rkcn[irxn] = exp(m_rkcn[irxn]*rrt); in updateKc()
245 size_t irxn = m_ctrxn[i]; in applyVoltageKfwdCorrection() local
248 double eamod = m_beta[i] * deltaElectricEnergy_[irxn]; in applyVoltageKfwdCorrection()
261 size_t irxn = m_ctrxn[i]; in convertExchangeCurrentDensityFormulation() local
269 double tmp = exp(- m_beta[i] * m_deltaG0[irxn] in convertExchangeCurrentDensityFormulation()
271 tmp *= 1.0 / m_ProdStanConcReac[irxn] / Faraday; in convertExchangeCurrentDensityFormulation()
272 kfwd[irxn] *= tmp; in convertExchangeCurrentDensityFormulation()
847 doublereal InterfaceKinetics::electrochem_beta(size_t irxn) const in electrochem_beta()
[all …]
H A DKinetics.cpp357 double Kinetics::reactantStoichCoeff(size_t kSpec, size_t irxn) const in reactantStoichCoeff()
359 return m_reactantStoich.stoichCoeffs().coeff(kSpec, irxn); in reactantStoichCoeff()
362 double Kinetics::productStoichCoeff(size_t kSpec, size_t irxn) const in productStoichCoeff()
364 return m_productStoich.stoichCoeffs().coeff(kSpec, irxn); in productStoichCoeff()
532 size_t irxn = nReactions(); // index of the new reaction in addReaction() local
572 m_reactantStoich.add(irxn, rk, rorder, rstoich); in addReaction()
574 m_productStoich.add(irxn, pk, pstoich, pstoich); in addReaction()
576 m_revProductStoich.add(irxn, pk, pstoich, pstoich); in addReaction()
H A DGasKinetics.cpp124 size_t irxn = m_revindex[i]; in updateKc() local
125 m_rkcn[irxn] = std::min(exp(m_rkcn[irxn]*rrt - m_dn[irxn]*m_logStandConc), in updateKc()
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/include/cantera/equil/
H A Dvcs_solve.h596 double vcs_Hessian_diag_adj(size_t irxn, double hessianDiag_Ideal);
603 double vcs_Hessian_actCoeff_diag(size_t irxn);
870 double vcs_minor_alt_calc(size_t kspec, size_t irxn, bool* do_delete,
/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/
H A Dfix_rx_kokkos.cpp1373 for (int irxn = 0; irxn < nreactions; irxn++) in operator ()() local
1376 userData.kFor[irxn] = 0.0; in operator ()()
1379 userData.kFor[irxn] = d_kineticsData.Arr(irxn) * in operator ()()
1380 pow(theta, d_kineticsData.nArr(irxn)) * in operator ()()
1381 exp(-d_kineticsData.Ea(irxn) / boltz / theta); in operator ()()
1592 for (int irxn = 0; irxn < nreactions; irxn++) in solve_reactions()
1595 userData.kFor[irxn] = 0.0; in solve_reactions()
1598 userData.kFor[irxn] = d_kineticsData.Arr(irxn) * in solve_reactions()
1599 pow(theta, d_kineticsData.nArr(irxn)) * in solve_reactions()
1600 exp(-d_kineticsData.Ea(irxn) / boltz / theta); in solve_reactions()
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/samples/f77/
H A Ddemo_ftnlib.cpp299 int irxn = *i - 1; in getreactioneqn_() local
301 string e = _kin->reactionString(irxn); in getreactioneqn_()
/dports/science/lammps/lammps-stable_29Sep2021/src/DPD-REACT/
H A Dfix_rx.cpp669 for (int irxn=0;irxn<nreactions;irxn++) in setup_pre_force() local
670 userData.kFor[irxn] = 0.0; in setup_pre_force()
746 for (int irxn = 0; irxn < nreactions; irxn++) in pre_force() local
747 userData.kFor[irxn] = Arr[irxn]*pow(theta,nArr[irxn])*exp(-Ea[irxn]/force->boltz/theta); in pre_force()
/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/interfaces/cython/cantera/
H A Dkinetics.pyx153 def modify_reaction(self, int irxn, Reaction rxn): argument
155 Modify the `Reaction` with index ``irxn`` to have the same rate
162 self.kinetics.modifyReaction(irxn, rxn._reaction)
/dports/chinese/ibus-table-chinese/ibus-table-chinese-1.8.3/tables/wubi-haifeng/
H A DCJKb.tab15651 15650 23D21 ��. irxn . . . 4413251115 4413251135
H A Dwubi-haifeng86.UTF-850058 irxn ��. 100
/dports/chinese/brise/brise-brise-0.35/supplement/
H A Dwubi86.dict.yaml50315 �� irxn 0
/dports/chinese/rime-wubi/rime-wubi-f1876f08f1d4a9696395be0070c0e8e4353c44cb/
H A Dwubi86.dict.yaml50281 �� irxn 0