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
|
#if HAVE_CONFIG_H
# include "config.fh"
#endif
subroutine initpar
#include "common"
c
double precision q8_ei(18,3)
data q8_ei
+ /1,-1, 0, 0, 1,-1, 1,-1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
+ 0, 0, 1,-1, 1,-1,-1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
+ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0/
integer i,j
double precision rdim,b,c2
c
do i=1, 8
do j = 1, NDIM
ei(i,j) = q8_ei(i,j)
end do
end do
c
rdim = 4.0d00
c2 = cspd**2
b = 24.0d00
c
do i =1, 9
if (i.eq.1) then
ffb(i) = 0.0d00
ffc(i) = 0.0d00
ffd(i) = -1.0d00/c2-4.0d00*rdim/(2.0d00*b*c2)
elseif (i.le.5) then
ffb(i) = 4.0d00*rdim/(b*c2)
ffc(i) = 4.0d00*rdim*(rdim+2.0d00)/(2.0d00*b*c2**2)
ffd(i) = -4.0d00*rdim/(2.0d00*b*c2)
else
ffb(i) = rdim/(b*c2)
ffc(i) = rdim*(rdim+2.0d00)/(2.0d00*b*c2**2)
ffd(i) = -rdim/(2.0d00*b*c2)
endif
end do
c
c
c Initialize hash table
c
hash(0,0) = 1
hash(1,0) = 2
hash(-1,0) = 3
hash(0,1) = 4
hash(0,-1) = 5
hash(1,1) = 6
hash(-1,-1) = 7
hash(1,-1) = 8
hash(-1,1) = 9
c
c Initialise inverse hash table
c
ihash(0,0) = 1
ihash(1,0) = 3
ihash(-1,0) = 2
ihash(0,1) = 5
ihash(0,-1) = 4
ihash(1,1) = 7
ihash(-1,-1) = 6
ihash(1,-1) = 9
ihash(-1,1) = 8
c
do i = 1, 50
tstats(i) = 0.0d00
end do
c
return
end
|
