QMCPACK
SelfHealingOverlapInput.h
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1 //////////////////////////////////////////////////////////////////////////////////////
2 // This file is distributed under the University of Illinois/NCSA Open Source License.
3 // See LICENSE file in top directory for details.
4 //
5 // Copyright (c) 2021 QMCPACK developers.
6 //
7 // File developed by: Jaron T. Krogel, krogeljt@ornl.gov, Oak Ridge National Laboratory
8 //
9 //////////////////////////////////////////////////////////////////////////////////////
10 #ifndef QMCPLUSPLUS_SHOVERLAPINPUT_H
11 #define QMCPLUSPLUS_SHOVERLAPINPUT_H
12 
13 #include "InputSection.h"
14 
15 namespace qmcplusplus
16 {
17 
18 class SelfHealingOverlap;
19 
20 /** Native representation for Self-Healing Overlap Estimator inputs
21  */
23 {
24 public:
27 
29  {
30  public:
31  // clang-format: off
33  {
34  section_name = "SelfHealingOverlap";
35  attributes = {"type", "name"};
36  strings = {"type", "name"};
37  default_values = {{"type", std::string("sh_overlap")},{"name", std::string("sh_overlap")}};
38  }
39  // clang-format: on
40  };
41 
43  /** default copy constructor
44  * This is required due to MDI being part of a variant used as a vector element.
45  */
48 };
49 
50 } // namespace qmcplusplus
51 #endif /* SHOVERLAPINPUT_H */
std::unordered_set< std::string > strings
Definition: InputSection.h:67
SelfHealingOverlapInputSection input_section_
Class that collects MSD coefficient values via the Self-Healing overlap.
helper functions for EinsplineSetBuilder
Definition: Configuration.h:43
QTBase::RealType RealType
Definition: Configuration.h:58
std::unordered_map< std::string, std::any > default_values
Definition: InputSection.h:79
Native representation for Self-Healing Overlap Estimator inputs.
void readXML(xmlNodePtr cur)
Read variable values (initialize) from XML input, call checkValid.
std::unordered_set< std::string > attributes
Definition: InputSection.h:62
Input section provides basic parsing and a uniform method of access to the raw parsed input...
Definition: InputSection.h:37
std::string section_name
"Name" of the input section, you must define this in the subtype and the ename, name, type, or method must match.
Definition: InputSection.h:57