PSCF v1.3.1
rpc/scft/ScftThermo.h
1#ifndef RPC_SCFT_THERMO_H
2#define RPC_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/ScftThermoTmpl.h> // base class template
12#include <rpc/system/System.h> // template parameter
13
14namespace Pscf {
15namespace Rpc {
16
17 using namespace Util;
18 using namespace Pscf::Prdc;
19
25 template <int D>
26 class ScftThermo : public ScftThermoTmpl<D, System<D> >
27 {
28 public:
29
32
39
40 protected:
41
43 using RFieldT = typename Base::RFieldT;
44
51 double innerProduct(RFieldT const & A,
52 RFieldT const & B) const override;
53
54 };
55
56 // Explicit instantiation declarations
57 extern template class ScftThermo<1>;
58 extern template class ScftThermo<2>;
59 extern template class ScftThermo<3>;
60
61} // namespace Rpc
62
63namespace Prdc {
64
65 // Explicit instantiation declarations for base class
66 extern template class ScftThermoTmpl<1, Rpc::System<1> >;
67 extern template class ScftThermoTmpl<2, Rpc::System<2> >;
68 extern template class ScftThermoTmpl<3, Rpc::System<3> >;
69
70} // namespace Rpc
71
72} // namespace Pscf
73#endif
Base class for SCFT thermodynamic property calculators.
Computes SCFT free energies.
ScftThermo(System< D > const &system)
Constructor.
double innerProduct(RFieldT const &A, RFieldT const &B) const override
Inner product of fields (sum of elements on a grid).
typename Base::RFieldT RFieldT
Alias for r-grid field type.
ScftThermoTmpl< D, System< D > > Base
Alias for base class.
Main class, representing a complete physical system.
Periodic fields and crystallography.
Definition CField.cpp:11
Real periodic fields, SCFT and PS-FTS (CPU).
Definition param_pc.dox:2
PSCF package top-level namespace.
Definition param_pc.dox:1