Hex  1.0
Hydrogen-electron collision solver
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hex-db.h
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12 
13 #ifndef HEX_HEX_DB
14 #define HEX_HEX_DB
15 
16 #include <map>
17 #include <string>
18 #include <vector>
19 
20 #include "arrays.h"
21 #include "complex.h"
22 #include "interfaces.h"
23 
25 enum eUnit
26 {
27  eUnit_Ry, // Rydberg (13.605692 eV, default)
28  eUnit_au, // Hartree (2 Ry)
29  eUnit_eV // electron-Volt
30 };
31 
33 enum lUnit
34 {
35  lUnit_au, // atomic units (Bohr radius a₀=5.29x10⁻⁹ cm)
36  lUnit_cgs // centimeters (1 cm = (1cm/a₀) a₀)
37 };
38 
39 // Angular units
40 enum aUnit
41 {
42  aUnit_deg, // degrees
43  aUnit_rad // radians
44 };
45 
46 // global unit settings
47 extern eUnit Eunits;
48 extern lUnit Lunits;
49 extern aUnit Aunits;
50 
54 int run
55 (
56  std::vector<std::string> const & vars,
57  std::map<std::string,std::string> const & sdata
58 );
59 
60 #endif
Definition: hex-db.h:35
aUnit Aunits
Definition: hex-db.cpp:37
Definition: hex-db.h:27
aUnit
Definition: hex-db.h:40
eUnit
Energy units.
Definition: hex-db.h:25
eUnit Eunits
Definition: hex-db.cpp:35
int run(std::vector< std::string > const &vars, std::map< std::string, std::string > const &sdata)
Definition: hex-db.cpp:323
Definition: hex-db.h:42
lUnit Lunits
Definition: hex-db.cpp:36
Definition: hex-db.h:29
Definition: hex-db.h:36
Definition: hex-db.h:28
lUnit
Output (length) units.
Definition: hex-db.h:33
Definition: hex-db.h:43