Last change
on this file since 313 was
313,
checked in by vondreele, 12 years ago
|
work on texture display & computation
|
File size:
1.5 KB
|
Line | |
---|
1 | SUBROUTINE QLMNINIT |
---|
2 | |
---|
3 | !PURPOSE: Compute Ql,m,n for spherical harmonics up to L=34 - only does even orders |
---|
4 | ! and only even N terms - by R.I. Sheldon & modified by R. Von Dreele for GSAS |
---|
5 | |
---|
6 | INCLUDE '../INCLDS/COPYRIGT.FOR' |
---|
7 | |
---|
8 | !CALLING ARGUMENTS: |
---|
9 | |
---|
10 | !INCLUDE STATEMENTS: |
---|
11 | |
---|
12 | REAL*4 QT |
---|
13 | COMMON /QLMNVAL/QT(2109) |
---|
14 | |
---|
15 | !LOCAL VARIABLES: |
---|
16 | |
---|
17 | REAL*8 SUM,TEMP,TEMP1 |
---|
18 | INTEGER*4 I,LMN,M,MM |
---|
19 | |
---|
20 | !FUNCTION DEFINITIONS: |
---|
21 | |
---|
22 | REAL*8 FACTLN !Compute ln-factorial & binominal coeffs. |
---|
23 | |
---|
24 | !DATA STATEMENTS: |
---|
25 | |
---|
26 | !CODE: |
---|
27 | |
---|
28 | J = 1 |
---|
29 | QT(1) = 1.0 |
---|
30 | DO L=2,34,2 |
---|
31 | DO M=0,L |
---|
32 | DO N=0,M,2 |
---|
33 | J = J+1 |
---|
34 | LMN = L-M-N |
---|
35 | TEMP = 0.5D0*(FACTLN(L+N)+FACTLN(L+M)+ |
---|
36 | 1 FACTLN(L-M)+FACTLN(L-N)) |
---|
37 | SUM = 0.0D0 |
---|
38 | DO I=0,L-N |
---|
39 | IF ( (L-M-I).GE.0 .AND. (M+N+I).GE.0 ) THEN |
---|
40 | TEMP1 = TEMP-FACTLN(I)-FACTLN(L-M-I)- |
---|
41 | 1 FACTLN(L-N-I)-FACTLN(M+N+I) |
---|
42 | TEMP1 = DEXP(TEMP1) |
---|
43 | IF ( MOD(I,2).NE.0 ) TEMP1 = -TEMP1 |
---|
44 | SUM = SUM+TEMP1 |
---|
45 | END IF |
---|
46 | END DO |
---|
47 | QT(J) = SUM/2.0**L |
---|
48 | IF ( MOD(LMN,2).NE.0 ) QT(J) = -QT(J) |
---|
49 | ! PRINT '(A,3I4,F12.8)',' l,m,n,Q(lmn)',L,M,N,QT(J) |
---|
50 | END DO |
---|
51 | END DO |
---|
52 | END DO |
---|
53 | RETURN |
---|
54 | END |
---|
55 | |
---|
Note: See
TracBrowser
for help on using the repository browser.