File: ExtrinsicModelTwoTemperature.h

package info (click to toggle)
lammps 20220106.git7586adbb6a%2Bds1-2
  • links: PTS, VCS
  • area: main
  • in suites: bookworm
  • size: 348,064 kB
  • sloc: cpp: 831,421; python: 24,896; xml: 14,949; f90: 10,845; ansic: 7,967; sh: 4,226; perl: 4,064; fortran: 2,424; makefile: 1,501; objc: 238; lisp: 163; csh: 16; awk: 14; tcl: 6
file content (79 lines) | stat: -rw-r--r-- 2,142 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
#ifndef EXTRINSIC_MODEL_TWO_TEMPERATURE
#define EXTRINSIC_MODEL_TWO_TEMPERATURE

#include <string>

#include "ExtrinsicModel.h"
#include "FieldEulerIntegrator.h"

namespace ATC {
  class ATC_Coupling;
  class PrescribedDataManager;
  class ExtrinsicModel;
  class PhysicsModel;

  /**
   *  @class  ExtrinsicModelTwoTemperature
   *  @brief  add electron temperature physics to phonon physics
   *          owned field: ELECTRON_TEMPERATURE
   */

  //--------------------------------------------------------
  //--------------------------------------------------------
  //  Class ExtrinsicModelTwoTemperature
  //--------------------------------------------------------
  //--------------------------------------------------------

  class ExtrinsicModelTwoTemperature : public ExtrinsicModel {

  public:

    // constructor
    ExtrinsicModelTwoTemperature(ExtrinsicModelManager * modelManager,
                   ExtrinsicModelType modelType,
                   std::string matFileName);

    // destructor
    virtual ~ExtrinsicModelTwoTemperature();

    /** parser/modifier */
    virtual bool modify(int narg, char **arg);

    /** pre time integration */
    virtual void initialize();

    /** Predictor phase, executed before Verlet */
    virtual void pre_init_integrate();

    /** Set sources to AtC equation */
    virtual void set_sources(FIELDS & fields, FIELDS & sources);

    /** Add model-specific output data */
    virtual void output(OUTPUT_LIST & outputData);

    /** set up LAMMPS display variables */
    virtual int size_vector(int externalSize);

    /** get LAMMPS display variables */
    virtual bool compute_vector(int n, double & value);

  protected:
    /** electron time integration flag */
    TimeIntegrator::TimeIntegrationType electronTimeIntegration_;

    /** electron time integration flag */
    FieldEulerIntegrator * temperatureIntegrator_;

    /** number of electron time integration subscycles */
    int nsubcycle_;

    /** flag for turning off exchange during equilibration */
    bool exchangeFlag_;

    /** offset/size for LAMMPS display output */
    int baseSize_;

  };

};
#endif