File: electron_dynamics.h

package info (click to toggle)
ergo 3.8-1
  • links: PTS, VCS
  • area: main
  • in suites: bookworm, bullseye, sid
  • size: 17,396 kB
  • sloc: cpp: 94,740; ansic: 17,015; sh: 7,559; makefile: 1,402; yacc: 127; lex: 110; awk: 23
file content (70 lines) | stat: -rw-r--r-- 1,897 bytes parent folder | download
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
/* Ergo, version 3.8, a program for linear scaling electronic structure
 * calculations.
 * Copyright (C) 2019 Elias Rudberg, Emanuel H. Rubensson, Pawel Salek,
 * and Anastasia Kruchinina.
 * 
 * This program is free software: you can redistribute it and/or modify
 * it under the terms of the GNU General Public License as published by
 * the Free Software Foundation, either version 3 of the License, or
 * (at your option) any later version.
 * 
 * This program is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU General Public License for more details.
 * 
 * You should have received a copy of the GNU General Public License
 * along with this program.  If not, see <http://www.gnu.org/licenses/>.
 * 
 * Primary academic reference:
 * Ergo: An open-source program for linear-scaling electronic structure
 * calculations,
 * Elias Rudberg, Emanuel H. Rubensson, Pawel Salek, and Anastasia
 * Kruchinina,
 * SoftwareX 7, 107 (2018),
 * <http://dx.doi.org/10.1016/j.softx.2018.03.005>
 * 
 * For further information about Ergo, see <http://www.ergoscf.org>.
 */

/** @file electron_dynamics.h

    @brief Parameters related to TDHF electron dynamics.

    @author: Elias Rudberg <em>responsible</em>
*/

#ifndef ELECTRON_DYNAMICS_HEADER
#define ELECTRON_DYNAMICS_HEADER

#include <string>

#include "realtype.h"

namespace ED {

struct Params
{
  ergo_real max_time;
  ergo_real timestep;
  ergo_real dc_pulse_strength;
  ergo_real dc_pulse_time;
  ergo_real ac_pulse_max;
  ergo_real ac_pulse_omega;
  std::string field_type;

  Params() 
  : max_time(125),
    timestep(0.2),
    dc_pulse_strength(0.005),
    dc_pulse_time(10),
    ac_pulse_max(0.07),
    ac_pulse_omega(0.1),
    field_type("none")
  {}
    
};

} /* End of namespace ED.  */

#endif