Changeset 2190


Ignore:
Timestamp:
Apr 1, 2016 9:33:15 AM (6 years ago)
Author:
vondreele
Message:

fix g77/gfortran problem with DIFFaX by putting use of GET_G into OPTIMZ instead of calling it from pydiffax.for
thus new binwin2.7 & bunwin64-2.7 libraries are deposited
GSASIIphsGUI still rund original DIFFaX for selected area simulations - still testing pydiffax

Location:
trunk
Files:
20 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIpwd.py

    r2189 r2190  
    3737import GSASIImath as G2mth
    3838import pypowder as pyd
    39 #import pydiffax as pyx
     39import pydiffax as pyx
    4040
    4141# trig functions in degrees
     
    20412041        iF = iB+128
    20422042        p1 = 128+int(i*Incr)
    2043         Sapd[:128,p1] = spec[iB:iF]
    2044         Sapd[128:,p1] = spec[iF:iB:-1]
     2043        Sapd[128:,p1] = spec[iB:iF]
     2044        Sapd[:128,p1] = spec[iF:iB:-1]
    20452045        if mirror:
    20462046            p2 = 128-int(i*Incr)
    2047             Sapd[:128,p2] = spec[iB:iF]
    2048             Sapd[128:,p2] = spec[iF:iB:-1]
     2047            Sapd[128:,p2] = spec[iB:iF]
     2048            Sapd[:128,p2] = spec[iF:iB:-1]
    20492049        iB += 128
    20502050    Sapd *= Scale
  • trunk/fsource/DIFFaXsubs/DIFFaXsubs.for

    r2188 r2190  
    56385638*
    56395639      character*31 sym_fnam
    5640       logical EQUALB, BINPOW
     5640      logical EQUALB, BINPOW, GET_G
    56415641      integer*4 GET_SYM, i, j, j2, m, n, LENGTH
    56425642      real*8 HKANGL, h_val, k_val
     
    56455645*
    56465646* external functions
    5647       external GET_SYM, LENGTH, EQUALB, BINPOW
     5647      external GET_SYM, LENGTH, EQUALB, BINPOW, GET_G
    56485648* external subroutines (Some compilers need them declared external)
    56495649*      external GETFNM, GET_BDS, CHK_SYM, NMCOOR, OVERLP
     
    56705670* then store the binary form of l_cnt+1 in an array for efficient
    56715671* matrix multiplication.
     5672      ok = GET_G()
    56725673      if(recrsv .and. .not.inf_thick) then
    56735674        ok = BINPOW(l_cnt+1)
  • trunk/fsource/pydiffax.for

    r2189 r2190  
    1111      INCLUDE 'DIFFaXsubs/DIFFaX.inc'
    1212
    13       EXTERNAL GET_G,AGLQ16,GET_SYM                 
    1413      INTEGER*4 CNTRLS(7),NSADP,GET_SYM,i_plane,hk_lim,i,j,k
    1514      INTEGER*4 HKLIM
    1615      REAL*8 SADP(NSADP),AGLQ16,l_upper,INCR
    17       LOGICAL ok,GET_G
    18        
     16      LOGICAL ok
     17       
     18      EXTERNAL AGLQ16,GET_SYM                 
    1919                   
    2020      i_plane = CNTRLS(2)
     
    3939      CALL SPHCST()
    4040      CALL DETUN()
    41       ok = GET_G()
    4241      CALL OPTIMZ('GSAS-II',ok)
    4342C      print *,lambda,max_angle,h_bnd,k_bnd,l_bnd,no_trials,
Note: See TracChangeset for help on using the changeset viewer.