PSCF v1.3.1
MixtureModifierPrdc.h
1#ifndef PRDC_MIXTURE_MODIFIER_PRDC_H
2#define PRDC_MIXTURE_MODIFIER_PRDC_H
3
4/*
5* PSCF - Polymer Self-Consistent Field
6*
7* Copyright 2015 - 2025, The Regents of the University of Minnesota
8* Distributed under the terms of the GNU General Public License.
9*/
10
11namespace Pscf {
12namespace Prdc {
13
35 template <class MT>
37 {
38
39 public:
40
43
48
53
59 void associate(MT& mixture);
60
64
75 void setKuhn(int monomerId, double kuhn);
76
83 void setPhiPolymer(int polymerId, double phi);
84
91 void setMuPolymer(int polymerId, double mu);
92
100 void setBlockLength(int polymerId, int blockId, double length);
101
108 void setPhiSolvent(int solventId, double phi);
109
116 void setMuSolvent(int solventId, double mu);
117
128 void setSolventSize(int solventId, double size);
129
135 void setVMonomer(double vMonomer);
136
138
147 void clearUnitCellData();
148
149 private:
150
154 MT& mixture();
155
157 MT* mixturePtr_;
158
159 };
160
161} // namespace Prdc
162} // namespace Pscf
163#endif
void setBlockLength(int polymerId, int blockId, double length)
Set the length for a block of a block polymer.
void setKuhn(int monomerId, double kuhn)
Set the statistical segment length for one monomer type.
void setSolventSize(int solventId, double size)
Set the size (steric volume) for a solvent species.
void setMuPolymer(int polymerId, double mu)
Set the chemical for a polymer species.
void setPhiPolymer(int polymerId, double phi)
Set the volume fraction for a polymer species.
void setVMonomer(double vMonomer)
Set the monomer reference volume for the mixture.
void associate(MT &mixture)
Create associations with a Mixture.
void setMuSolvent(int solventId, double mu)
Set the chemical for a solvent species.
void setPhiSolvent(int solventId, double phi)
Set the volume fraction for a solvent species.
void clearUnitCellData()
Clear all data that depends on the unit cell parameters.
Periodic fields and crystallography.
Definition CField.cpp:11
PSCF package top-level namespace.
Definition param_pc.dox:1