projects
/
physik
/
posic.git
/ blob
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
history
|
raw
|
HEAD
implemented continue featue + skipped d calc in bond_analyze function
[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
static double pse_mass[]={
11
0,
12
0,
13
0,
14
0,
15
0,
16
0,
17
M_C,
18
0,
19
0,
20
0,
21
0,
22
0,
23
0,
24
0,
25
M_SI,
26
0,
27
0,
28
0,
29
0,
30
};
31
32
static double pse_lc[]={
33
0,
34
0,
35
0,
36
0,
37
0,
38
0,
39
LC_C,
40
0,
41
0,
42
0,
43
0,
44
0,
45
0,
46
0,
47
LC_SI,
48
0,
49
0,
50
0,
51
0,
52
};
53
54
static char *pse_name[]={
55
"*",
56
"H",
57
"He",
58
"Li",
59
"Be",
60
"B",
61
"C",
62
"N",
63
"O",
64
"F",
65
"Ne",
66
"Na",
67
"Mg",
68
"Al",
69
"Si",
70
"P",
71
"S",
72
"Cl",
73
"Ar",
74
};
75
76
static char *pse_col[]={
77
"*",
78
"White",
79
"He",
80
"Li",
81
"Be",
82
"B",
83
"Gray",
84
"N",
85
"Blue",
86
"F",
87
"Ne",
88
"Na",
89
"Mg",
90
"Al",
91
"Yellow",
92
"P",
93
"S",
94
"Cl",
95
"Ar",
96
};
97