votca 2024.1-dev
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staticregion.h
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1/*
2 * Copyright 2009-2020 The VOTCA Development Team
3 * (http://www.votca.org)
4 *
5 * Licensed under the Apache License, Version 2.0 (the "License")
6 *
7 * You may not use this file except in compliance with the License.
8 * You may obtain a copy of the License at
9 *
10 * http://www.apache.org/licenses/LICENSE-2.0
11 *
12 * Unless required by applicable law or agreed to in writing, software
13 * distributed under the License is distributed on an "AS IS" BASIS,
14 * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
15 * See the License for the specific language governing permissions and
16 * limitations under the License.
17 *
18 */
19
20#pragma once
21#ifndef VOTCA_XTP_STATICREGION_H
22#define VOTCA_XTP_STATICREGION_H
23
24// Local VOTCA includes
25#include "mmregion.h"
26
27namespace votca {
28namespace xtp {
29class QMRegion;
30class PolarRegion;
31class StaticRegion;
32
33class StaticRegion : public MMRegion<StaticSegment> {
34 public:
36
37 std::string identify() const override { return "staticregion"; }
38
39 void Initialize(const tools::Property&) override { return; }
40
41 bool Converged() const override { return true; }
42
43 double Etotal() const override { return 0.0; }
44
45 void Evaluate(std::vector<std::unique_ptr<Region> >&) override { return; }
46 void Reset() override { return; };
47
48 protected:
49 void ResetRegion() { return; }
50 void AppendResult(tools::Property&) const override { return; }
51 double InteractwithQMRegion(const QMRegion&) override { return 0.0; }
52 double InteractwithPolarRegion(const PolarRegion&) override { return 0.0; }
53 double InteractwithStaticRegion(const StaticRegion&) override { return 0.0; }
54
55 private:
56};
57
58} // namespace xtp
59} // namespace votca
60
61#endif // VOTCA_XTP_STATICREGION_H
class to manage program options with xml serialization functionality
Definition property.h:55
Logger is used for thread-safe output of messages.
Definition logger.h:164
double Etotal() const override
void Initialize(const tools::Property &) override
bool Converged() const override
StaticRegion(Index id, Logger &log)
void Evaluate(std::vector< std::unique_ptr< Region > > &) override
void AppendResult(tools::Property &) const override
double InteractwithPolarRegion(const PolarRegion &) override
double InteractwithQMRegion(const QMRegion &) override
void Reset() override
std::string identify() const override
double InteractwithStaticRegion(const StaticRegion &) override
base class for all analysis tools
Definition basebead.h:33
Eigen::Index Index
Definition types.h:26