Changeset 2190
 Timestamp:
 Apr 1, 2016 9:33:15 AM (6 years ago)
 Location:
 trunk
 Files:

 20 edited
Legend:
 Unmodified
 Added
 Removed

trunk/GSASIIpwd.py
r2189 r2190 37 37 import GSASIImath as G2mth 38 38 import pypowder as pyd 39 #import pydiffax as pyx39 import pydiffax as pyx 40 40 41 41 # trig functions in degrees … … 2041 2041 iF = iB+128 2042 2042 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] 2045 2045 if mirror: 2046 2046 p2 = 128int(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] 2049 2049 iB += 128 2050 2050 Sapd *= Scale 
trunk/fsource/DIFFaXsubs/DIFFaXsubs.for
r2188 r2190 5638 5638 * 5639 5639 character*31 sym_fnam 5640 logical EQUALB, BINPOW 5640 logical EQUALB, BINPOW, GET_G 5641 5641 integer*4 GET_SYM, i, j, j2, m, n, LENGTH 5642 5642 real*8 HKANGL, h_val, k_val … … 5645 5645 * 5646 5646 * external functions 5647 external GET_SYM, LENGTH, EQUALB, BINPOW 5647 external GET_SYM, LENGTH, EQUALB, BINPOW, GET_G 5648 5648 * external subroutines (Some compilers need them declared external) 5649 5649 * external GETFNM, GET_BDS, CHK_SYM, NMCOOR, OVERLP … … 5670 5670 * then store the binary form of l_cnt+1 in an array for efficient 5671 5671 * matrix multiplication. 5672 ok = GET_G() 5672 5673 if(recrsv .and. .not.inf_thick) then 5673 5674 ok = BINPOW(l_cnt+1) 
trunk/fsource/pydiffax.for
r2189 r2190 11 11 INCLUDE 'DIFFaXsubs/DIFFaX.inc' 12 12 13 EXTERNAL GET_G,AGLQ16,GET_SYM14 13 INTEGER*4 CNTRLS(7),NSADP,GET_SYM,i_plane,hk_lim,i,j,k 15 14 INTEGER*4 HKLIM 16 15 REAL*8 SADP(NSADP),AGLQ16,l_upper,INCR 17 LOGICAL ok,GET_G 18 16 LOGICAL ok 17 18 EXTERNAL AGLQ16,GET_SYM 19 19 20 20 i_plane = CNTRLS(2) … … 39 39 CALL SPHCST() 40 40 CALL DETUN() 41 ok = GET_G()42 41 CALL OPTIMZ('GSASII',ok) 43 42 C print *,lambda,max_angle,h_bnd,k_bnd,l_bnd,no_trials,
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