PSCF v1.3
rpg/scft/ScftThermo.h
1#ifndef RPG_SCFT_THERMO_H
2#define RPG_SCFT_THERMO_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
11#include <prdc/system/ScftReal.h> // base class template
12#include <rpg/system/System.h> // template parameter
13
14namespace Pscf {
15namespace Rpg {
16
17 using namespace Util;
18 using namespace Pscf::Prdc;
19
25 template <int D>
26 class ScftThermo : public ScftReal<D, System<D> >
27 {
28 public:
29
32
39
40 protected:
41
43 using FieldT = typename Base::FieldT;
44
52 double innerProduct(FieldT const & A,
53 FieldT const & B) const override;
54
55 };
56
57 // Suppress implicit instantiation
58 extern template class ScftThermo<1>;
59 extern template class ScftThermo<2>;
60 extern template class ScftThermo<3>;
61
62}
63
64namespace Prdc {
65 // Suppress implicit instantiation of base class
66 extern template class ScftReal<1, Rpg::System<1> >;
67 extern template class ScftReal<2, Rpg::System<2> >;
68 extern template class ScftReal<3, Rpg::System<3> >;
69}
70
71} // namespace Pscf
72#endif
Base class for SCFT thermodynamic property calculator.
Definition ScftReal.h:25
Computes SCFT free energies.
double innerProduct(FieldT const &A, FieldT const &B) const override
Inner product of fields (sum of elements on a grid).
Definition ScftThermo.cu:33
ScftReal< D, System< D > > Base
Alias for base class.
ScftThermo(System< D > const &system)
Constructor.
Definition ScftThermo.cu:25
typename Base::FieldT FieldT
Alias for r-grid field type.
Main class, representing one complete system.
Periodic fields and crystallography.
Definition CField.cpp:11
SCFT and PS-FTS with real periodic fields (GPU)
PSCF package top-level namespace.
Definition param_pc.dox:1