Last change
on this file since 971 was
971,
checked in by vondreele, 9 years ago

update binwin2.7 with new G77 pyd files.
add mcsasubs to fsource directory
some mods to GSASIImath.py to accommodate them

File size:
832 bytes

Line  

1  SUBROUTINE MCSASFCALC(INV,NTD,TDATA,MDATA,XDATA,MUL,NFFS,FFS, 

2  1 NUNIQ,UNIQ,PHI,ICALC) 

3  

4  LOGICAL*4 INV 

5  INTEGER*4 NTD,MUL,NFFS,NUNIQ,I,J,K,TDATA(0:NTD1) 

6  REAL*4 XDATA(0:3*NTD1),UNIQ(0:3*NUNIQ1) 

7  REAL*4 MDATA(0:NTD1),FFS(0:NFFS1) 

8  REAL*4 ICALC,PHI(0:NUNIQ1) 

9  REAL*4 PHASE,FF,FAS,FBS,TWOPI 

10  

11  TWOPI = 8.0*ATAN(1.0) 

12  FAS = 0. 

13  FBS = 0. 

14  DO I=0,NTD1 

15  FF = FFS(TDATA(I))*MDATA(I)/NUNIQ 

16  DO J=0,NUNIQ1 

17  PHASE = 0. 

18  DO K=0,2 

19  PHASE = PHASE+UNIQ(3*J+K)*XDATA(3*I+K) 

20  END DO 

21  PHASE = PHASE+PHI(J) 

22  FAS = FAS+FF*COS(TWOPI*PHASE) 

23  IF ( .NOT. INV ) FBS = FBS+FF*SIN(TWOPI*PHASE) 

24  END DO 

25  END DO 

26  ICALC = (FAS**2+FBS**2)*MUL 

27  RETURN 

28  END 

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