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Searched refs:Adiel_shape (Results 1 – 3 of 3) sorted by relevance

/dports/science/jdftx/jdftx-1.6.0/jdftx/fluid/
H A DNonlinearPCM.cpp186 ScalarFieldArray Adiel_shape; if(Adiel_nCavityTilde) nullToZero(Adiel_shape, gInfo, shape.size()); in operator ()() local
203 …ref(), Adiel_muPlus->dataPref(), Adiel_muMinus->dataPref(), Adiel_shape.size() ? Adiel_shape.back(… in operator ()()
215 …p.dataPref(), Aout->dataPref(), Adiel_eps.dataPref(), Adiel_shape.size() ? Adiel_shape[0]->dataPre… in operator ()()
233 …ref(), Adiel_muPlus->dataPref(), Adiel_muMinus->dataPref(), Adiel_shape.size() ? Adiel_shape.back(… in operator ()()
240 if(Adiel_shape.size()) Adiel_shape.back() += Adiel_mu0 * mu0_shape; in operator ()()
247 …Adiel_p.const_dataPref(), Adiel_eps.dataPref(), Adiel_shape.size() ? Adiel_shape[0]->dataPref() : … in operator ()()
265 propagateCavityGradients(Adiel_shape, Adiel_nCavity, *Adiel_rhoExplicitTilde, forces, Adiel_RRT); in operator ()()
H A DLinearPCM.cpp123 ScalarFieldArray Adiel_shape(shape.size()); in get_Adiel_and_grad_internal() local
126 Adiel_shape[0] = fsp.epsBulkTensor.length_squared() in get_Adiel_and_grad_internal()
135 if(k2factor) Adiel_shape.back() -= (k2factor/(8*M_PI)) * pow(I(phi),2); //ionic contributions in get_Adiel_and_grad_internal()
145 …propagateCavityGradients(Adiel_shape, Adiel_nCavity, Adiel_rhoExplicitTilde, extraForces, Adiel_RR… in get_Adiel_and_grad_internal()
H A DSaLSA.cpp263 …ScalarFieldArray Adiel_shape(shape.size()); ScalarFieldArray Adiel_siteShape(solvent->molecule.sit… in get_Adiel_and_grad_internal() local
268 ScalarField& Adiel_s = resp.selectSite(Adiel_shape, Adiel_siteShape); in get_Adiel_and_grad_internal()
281 Adiel_shape[0] += I(Sf[iSite] * Adiel_siteShapeTilde); in get_Adiel_and_grad_internal()
285 for(ScalarField& A_s : Adiel_shape) in get_Adiel_and_grad_internal()
293 …propagateCavityGradients(Adiel_shape, Adiel_nCavity, Adiel_rhoExplicitTilde, extraForces, Adiel_RR… in get_Adiel_and_grad_internal()