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
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
|
C Copyright (c) 2003-2010 University of Florida
C
C This program is free software; you can redistribute it and/or modify
C it under the terms of the GNU General Public License as published by
C the Free Software Foundation; either version 2 of the License, or
C (at your option) any later version.
C This program is distributed in the hope that it will be useful,
C but WITHOUT ANY WARRANTY; without even the implied warranty of
C MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
C GNU General Public License for more details.
C The GNU General Public License is included in this distribution
C in the file COPYRIGHT.
SUBROUTINE GETLAMBDA(HESMOD, GRDHES, RFAMAT, NOPT, EVRFAMAT,
& LMBDAN, LMBDAP, IADITNL, IMODE, LUOUT,
& TS, RFA, QSTLST_CLIMB)
C
IMPLICIT DOUBLE PRECISION (A-H, O-Z)
C
LOGICAL TS, RFA, QSTLST_CLIMB
DOUBLE PRECISION LMBDAN, LMBDAP, LP1, LP2
C
DIMENSION HESMOD(NOPT, NOPT), GRDHES(NOPT), EVRFAMAT(NOPT+IADITNL,
& NOPT+IADITNL), RFAMAT(NOPT+IADITNL, NOPT+IADITNL)
C
C If this is a simple LST or QST climb, we do not need Lambda(n) parameter.
IF (.NOT. QSTLST_CLIMB) THEN
JCT=1
NDIM = NOPT + IADITNL
do i = 1, NOPT+IADITNL
do j = 1, NOPT+IADITNL
rfamat(i,j) = 0.d0
evrfamat(i,j) = 0.d0
enddo
enddo
DO 503 I = 1, NOPT
C
IF(I .EQ. IMODE) GOTO 503
RFAMAT(JCT, JCT) = HESMOD(I,I)
RFAMAT(JCT, NDIM) = GRDHES(I)
RFAMAT(NDIM, JCT) = GRDHES(I)
JCT = JCT + 1
C
503 CONTINUE
C
C Diagonalize the RFA matrix
C
CALL EIG(RFAMAT, EVRFAMAT, NDIM, NDIM, 0)
LMBDAN = RFAMAT(1,1)
C
WRITE(LUOUT, 2105)LMBDAN
2105 FORMAT(T3,' Shift Parameter Lambda(n)=',f10.7,'.')
C
C ENDIF (.NOT. QSTLST_CLIMB)
ENDIF
C
C Calculate Lambda(P)
C
IF (TS.OR.QSTLST_CLIMB) THEN
C
IF (.NOT.QSTLST_CLIMB) THEN
WRITE(LUOUT, 1651) IMODE
1651 FORMAT(T3,' Eigenvector following is turned on.',/,t3,
& ' Mode ',i3,' will be searched uphill.')
ELSE
WRITE(LUOUT, 1652) IMODE
1652 FORMAT(T3,' QST or LST climbing is turned on.',/,t3,
& ' Mode ',i3,' will be searched uphill.')
ENDIF
C
LP1 = HESMOD(IMODE,IMODE)*0.5D0
LP2 = HESMOD(IMODE,IMODE)**2 + 4.D0*GRDHES(IMODE)**2
LMBDAP = LP1 + 0.5D0*DSQRT(LP2)
C
WRITE(LUOUT,2106)LMBDAP
2106 FORMAT(T3,' Shift Parameter Lambda(p)=',f10.7)
C
ELSE
LMBDAP = 0.0D00
ENDIF
C
RETURN
END
|
