Changeset 2190

Timestamp:

Apr 1, 2016 9:33:15 AM (7 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:

• GSASIIpwd.py (modified) (2 diffs)
• binwin2.7/fellipse.pyd (modified) (previous)
• binwin2.7/histogram2d.pyd (modified) (previous)
• binwin2.7/histosigma2d.pyd (modified) (previous)
• binwin2.7/pack_f.pyd (modified) (previous)
• binwin2.7/polymask.pyd (modified) (previous)
• binwin2.7/pypowder.pyd (modified) (previous)
• binwin2.7/pyspg.pyd (modified) (previous)
• binwin2.7/pytexture.pyd (modified) (previous)
• binwin64-2.7/fellipse.pyd (modified) (previous)
• binwin64-2.7/histogram2d.pyd (modified) (previous)
• binwin64-2.7/histosigma2d.pyd (modified) (previous)
• binwin64-2.7/pack_f.pyd (modified) (previous)
• binwin64-2.7/polymask.pyd (modified) (previous)
• binwin64-2.7/pydiffax.pyd (modified) (previous)
• binwin64-2.7/pypowder.pyd (modified) (previous)
• binwin64-2.7/pyspg.pyd (modified) (previous)
• binwin64-2.7/pytexture.pyd (modified) (previous)
• fsource/DIFFaXsubs/DIFFaXsubs.for (modified) (3 diffs)
• fsource/pydiffax.for (modified) (2 diffs)

trunk/GSASIIpwd.py

@@ -37 +37 @@
 import GSASIImath as G2mth
 import pypowder as pyd
-#import pydiffax as pyx
+import pydiffax as pyx
 
 # trig functions in degrees
@@ -2041 +2041 @@
         iF = iB+128
         p1 = 128+int(i*Incr)
-        Sapd[:128,p1] = spec[iB:iF]
-        Sapd[128:,p1] = spec[iF:iB:-1]
+        Sapd[128:,p1] = spec[iB:iF]
+        Sapd[:128,p1] = spec[iF:iB:-1]
         if mirror:
             p2 = 128-int(i*Incr)
-            Sapd[:128,p2] = spec[iB:iF]
-            Sapd[128:,p2] = spec[iF:iB:-1]
+            Sapd[128:,p2] = spec[iB:iF]
+            Sapd[:128,p2] = spec[iF:iB:-1]
         iB += 128
     Sapd *= Scale

trunk/fsource/DIFFaXsubs/DIFFaXsubs.for

@@ -5638 +5638 @@
 *
       character*31 sym_fnam
-      logical EQUALB, BINPOW
+      logical EQUALB, BINPOW, GET_G
       integer*4 GET_SYM, i, j, j2, m, n, LENGTH
       real*8 HKANGL, h_val, k_val
@@ -5645 +5645 @@
 *
 * external functions
-      external GET_SYM, LENGTH, EQUALB, BINPOW
+      external GET_SYM, LENGTH, EQUALB, BINPOW, GET_G
 * external subroutines (Some compilers need them declared external)
 *      external GETFNM, GET_BDS, CHK_SYM, NMCOOR, OVERLP
@@ -5670 +5670 @@
 * then store the binary form of l_cnt+1 in an array for efficient
 * matrix multiplication.
+      ok = GET_G()
       if(recrsv .and. .not.inf_thick) then
         ok = BINPOW(l_cnt+1)

trunk/fsource/pydiffax.for

@@ -11 +11 @@
       INCLUDE 'DIFFaXsubs/DIFFaX.inc'
 
-      EXTERNAL GET_G,AGLQ16,GET_SYM                  
       INTEGER*4 CNTRLS(7),NSADP,GET_SYM,i_plane,hk_lim,i,j,k
       INTEGER*4 HKLIM
       REAL*8 SADP(NSADP),AGLQ16,l_upper,INCR
-      LOGICAL ok,GET_G
-        
+      LOGICAL ok
+        
+      EXTERNAL AGLQ16,GET_SYM                  
                     
       i_plane = CNTRLS(2)
@@ -39 +39 @@
       CALL SPHCST()
       CALL DETUN()
-      ok = GET_G()
       CALL OPTIMZ('GSAS-II',ok)
 C      print *,lambda,max_angle,h_bnd,k_bnd,l_bnd,no_trials,