]> www.hackdaworld.org Git - physik/posic.git/blob - pse.h
introduced crt type 2 (initial diplacement vector for constraints) + write out crt...
[physik/posic.git] / pse.h
1 /*
2  * pse.h - elemnts specific stuff
3  *
4  * author: Frank Zirkelbach <frank.zirkelbach@physik.uni-augsburg.de>
5  *
6  */
7
8 #include "moldyn.h"
9
10 #ifdef PSE_MASS
11 static double pse_mass[]={
12         0,
13         0,
14         0,
15         0,
16         0,
17         0,
18         M_C,
19         0,
20         0,
21         0,
22         0,
23         0,
24         0,
25         0,
26         M_SI,
27         0,
28         0,
29         0,
30         0,
31 };
32 #endif
33
34 #ifdef PSE_LC
35 static double pse_lc[]={
36         0,
37         0,
38         0,
39         0,
40         0,
41         0,
42         LC_C,
43         0,
44         0,
45         0,
46         0,
47         0,
48         0,
49         0,
50         LC_SI,
51         0,
52         0,
53         0,
54         0,
55 };
56 #endif
57
58 #ifdef PSE_NAME
59 static char *pse_name[]={
60         "*",
61         "H",
62         "He",
63         "Li",
64         "Be",
65         "B",
66         "C",
67         "N",
68         "O",
69         "F",
70         "Ne",
71         "Na",
72         "Mg",
73         "Al",
74         "Si",
75         "P",
76         "S",
77         "Cl",
78         "Ar",
79 };
80 #endif
81
82 #ifdef PSE_COL
83 static char *pse_col[]={
84         "*",
85         "White",
86         "He",
87         "Li",
88         "Be",
89         "B",
90         "Gray",
91         "N",
92         "Blue",
93         "F",
94         "Ne",
95         "Na",
96         "Mg",
97         "Al",
98         "Yellow",
99         "P",
100         "S",
101         "Cl",
102         "Ar",
103 };
104 #endif
105