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https://github.com/nwchemgit/nwchem.git
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trying to overcome gcc48 loop craziness
This commit is contained in:
parent
6db646e12d
commit
547eac1714
11 changed files with 88 additions and 157 deletions
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@ -57,7 +57,7 @@ else
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OBJ_OPTIMIZE =
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endif
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USES_BLAS = amshift.f \
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USES_BLAS = amshift.F \
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big_service.F \
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trobsa.F getmem.F
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@ -1,4 +1,4 @@
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c $Id$
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c $Id: amshift.f 19696 2010-10-29 16:53:42Z d3y133 $
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c----------------------------------------------------
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C*
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C* THESE ROUTINES SHIFT THE ANGULAR MOMENTUM
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@ -30,12 +30,10 @@ c
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implicit real*8 (a-h,o-z)
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character*11 scftype
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character*8 where
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#include "texas_lpar.fh"
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common /runtype/ scftype,where
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c
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common /cpu/ intsize,iacc,icache,memreal
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cxx
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common /logic4/ nfu(1)
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cxx
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c
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COMMON/SHELL/LSHELLT,LSHELIJ,LSHELKL,LHELP,LCAS2(4),LCAS3(4)
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common/obarai/
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@ -465,6 +463,7 @@ c------------------------------------
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c when l-shells are not present
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c------------------------------------
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implicit real*8 (a-h,o-z)
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#include "texas_lpar.fh"
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common /types/iityp,jjtyp,kktyp,lltyp, ityp,jtyp,ktyp,ltyp
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common /number/ zero,half,one,two,three,four,five,ten,ten6,tenm8,p
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1i,acc
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@ -473,7 +472,6 @@ c------------------------------------
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* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,mmax,
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* nqi,nqj,nqk,nql,nsij,nskl,
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* nqij,nqij1,nsij1,nqkl,nqkl1,nskl1,ijbex,klbex
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common /logic4/ nfu(1)
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c
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dimension buf2(mnbls,lt1,lt2),wij(mnbls,lt3,lsjl)
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dimension xij(mnbls,lt4,lt5,lt6)
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@ -555,6 +553,7 @@ c* when 1 l-shell is present somewhere
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c* in position 1,2 or 3,4
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c***********************************************************
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implicit real*8 (a-h,o-z)
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#include "texas_lpar.fh"
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cxxx
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common /types/iityp,jjtyp,kktyp,lltyp, ityp,jtyp,ktyp,ltyp
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c
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@ -568,9 +567,6 @@ c
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c
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common/shell/lshellt,lshelij,lshelkl,lhelp,lcas2(4),lcas3(4)
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c
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cxx
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common /logic4/ nfu(1)
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cxx
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c
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dimension buf2(mnbls,lt1,lt2),
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* bijx(mnbls,lt3,lt2),
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@ -754,6 +750,7 @@ c* when 2 l-shells are present somewhere
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c* in position 1,2 or 3,4
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c***********************************************************
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implicit real*8 (a-h,o-z)
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#include "texas_lpar.fh"
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cxxxx
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common /types/iityp,jjtyp,kktyp,lltyp, ityp,jtyp,ktyp,ltyp
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c
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@ -767,9 +764,6 @@ c
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c
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common/shell/lshellt,lshelij,lshelkl,lhelp,lcas2(4),lcas3(4)
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c
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cxx
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common /logic4/ nfu(1)
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cxx
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c
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dimension x2l(mnbls,lt3,lt4)
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dimension buf2(mnbls,lt1,lt2),
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@ -1050,6 +1044,7 @@ c* when 3 l-shells are present somewhere
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c* in positions 1,2 or 3,4
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c***********************************************************
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implicit real*8 (a-h,o-z)
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#include "texas_lpar.fh"
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cxxx
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common /types/iityp,jjtyp,kktyp,lltyp, ityp,jtyp,ktyp,ltyp
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c
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@ -1063,9 +1058,6 @@ c
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c
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common/shell/lshellt,lshelij,lshelkl,lhelp,lcas2(4),lcas3(4)
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c
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cxx
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common /logic4/ nfu(1)
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cxx
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c
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dimension x2l1(mnbls,lt3,lt4),x2l2(mnbls,lt3,lt4),
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* x2l3(mnbls,lt3,lt4),x2l4(mnbls,lt3,lt4)
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@ -1425,6 +1417,7 @@ c***********************************************************
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c* when 4 l-shells are present
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c***********************************************************
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implicit real*8 (a-h,o-z)
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#include "texas_lpar.fh"
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ctest
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character*11 scftype
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character*8 where
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@ -1439,7 +1432,6 @@ c
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* nqi,nqj,nqk,nql,nsij,nskl,
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* nqij,nqij1,nsij1,nqkl,nqkl1,nskl1,ijbex,klbex
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common/shell/lshellt,lshelij,lshelkl,lhelp,lcas2(4),lcas3(4)
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common /logic4/ nfu(1)
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c
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dimension x2l1(mnbls,lt3,lt4),x2l2(mnbls,lt3,lt4),
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* x2l3(mnbls,lt3,lt4),x2l4(mnbls,lt3,lt4)
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@ -1661,12 +1653,7 @@ c=====================================================
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subroutine horiz12(wij,lw1,lw2,xab,mnbls,nqi,nqj,nsij1)
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implicit real*8 (a-h,o-z)
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c
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common /logic4/ nfu(1)
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common /logic5/ icoor(1)
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common /logic6/ icool(1)
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common /logic7/ ifrst(1)
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common /logic8/ ilast(1)
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common /logic11/ npxyz(3,1)
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#include "texas_lpar.fh"
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c
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dimension wij(mnbls,lw1,lw2),xab(mnbls,3)
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c---------------------------------------------------
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@ -1700,6 +1687,7 @@ c------------------------------------
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c when l-shells are not present
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c------------------------------------
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implicit real*8 (a-h,o-z)
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#include "texas_lpar.fh"
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common /types/iityp,jjtyp,kktyp,lltyp, ityp,jtyp,ktyp,ltyp
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common /number/ zero,half,one,two,three,four,five,ten,ten6,tenm8,p
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1i,acc
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@ -1708,7 +1696,6 @@ c------------------------------------
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* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,mmax,
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* nqi,nqj,nqk,nql,nsij,nskl,
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* nqij,nqij1,nsij1,nqkl,nqkl1,nskl1,ijbex,klbex
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common /logic4/ nfu(1)
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c
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dimension buf0(nbls,lt1,lt2),wij0(nbls,lt3,lsjl)
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dimension buf2(mnbls,lt1,lt2),wij(mnbls,lt3,lsjl)
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@ -1786,12 +1773,7 @@ c=============================================================
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subroutine horiz12_der1(wij0,wij,lw1,lw2,xab,nbls,nqi,nqj,nsij1)
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implicit real*8 (a-h,o-z)
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c
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common /logic4/ nfu(1)
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common /logic5/ icoor(1)
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common /logic6/ icool(1)
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common /logic7/ ifrst(1)
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common /logic8/ ilast(1)
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common /logic11/ npxyz(3,1)
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#include "texas_lpar.fh"
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c
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dimension wij0(nbls,lw1,lw2)
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dimension wij(9,nbls,lw1,lw2),xab(9,nbls,3)
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@ -1864,12 +1846,7 @@ c=====================================================
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subroutine horiz34_der1(wij0,wij,lw1,lw2,xab,nbls,nqi,nqj,nsij1)
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implicit real*8 (a-h,o-z)
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c
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common /logic4/ nfu(1)
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common /logic5/ icoor(1)
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common /logic6/ icool(1)
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common /logic7/ ifrst(1)
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common /logic8/ ilast(1)
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common /logic11/ npxyz(3,1)
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#include "texas_lpar.fh"
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c
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dimension wij0(nbls,lw1,lw2)
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dimension wij(9,nbls,lw1,lw2),xab(9,nbls,3)
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@ -1953,7 +1930,7 @@ c------------------------------------
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* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,mmax,
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* nqi,nqj,nqk,nql,nsij,nskl,
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* nqij,nqij1,nsij1,nqkl,nqkl1,nskl1,ijbex,klbex
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common /logic4/ nfu(1)
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#include "texas_lpar.fh"
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c
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dimension buf0(nbls,lt1,lt2),wij0(nbls,lt3,lsjl)
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dimension buf1(9*nbls,lt1,lt2),wij1(9*nbls,lt3,lsjl)
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@ -2040,12 +2017,7 @@ c=============================================================
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* lw1,lw2,xab,nbls,nqi,nqj,nsij1)
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implicit real*8 (a-h,o-z)
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c
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common /logic4/ nfu(1)
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common /logic5/ icoor(1)
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common /logic6/ icool(1)
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common /logic7/ ifrst(1)
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common /logic8/ ilast(1)
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common /logic11/ npxyz(3,1)
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#include "texas_lpar.fh"
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c
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dimension wij0(nbls,lw1,lw2)
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dimension wij1(9,nbls,lw1,lw2)
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@ -2182,12 +2154,7 @@ c=====================================================
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* lw1,lw2,xab,nbls,nqi,nqj,nsij1)
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implicit real*8 (a-h,o-z)
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c
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common /logic4/ nfu(1)
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common /logic5/ icoor(1)
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common /logic6/ icool(1)
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common /logic7/ ifrst(1)
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common /logic8/ ilast(1)
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common /logic11/ npxyz(3,1)
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#include "texas_lpar.fh"
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c
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dimension wij0(nbls,lw1,lw2)
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dimension wij1(9,nbls,lw1,lw2)
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@ -12,7 +12,7 @@ c
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* nqi,nqj,nqk,nql,nsij,nskl,
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* nqij,nqij1,nsij1,nqkl,nqkl1,nskl1,ijbeg,klbeg
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c
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common /logic4/ nfu(1)
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#include "texas_lpar.fh"
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c
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dimension indx(*)
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dimension xt1(nbls1*lt1*lt2)
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@ -120,7 +120,7 @@ c
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* nqi,nqj,nqk,nql,nsij,nskl,
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* nqij,nqij1,nsij1,nqkl,nqkl1,nskl1,ijbeg,klbeg
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c
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common /logic4/ nfu(1)
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#include "texas_lpar.fh"
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c
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dimension indx(*)
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dimension xt1(nbls*lt1*lt2) ! Was nbls1
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@ -79,19 +79,8 @@ c dimension nia(3,lp2)
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c dimension nmxyz(3,lp2)
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c dimension npxyz(3,lp3)
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cxx
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parameter (lpar1=30,lpar2=4495,lpar3=4060,lpar4=9,lpar5=29)
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common /logicd/ hnia(3,1)
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common /logic1/ ndege(lpar4)
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common /logic2/ len(lpar4)
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common /logic3/ lensm(lpar5)
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common /logic4/ nfu(lpar1)
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common /logic5/ icoor(1)
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common /logic6/ icool(1)
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common /logic7/ ifrst(1)
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common /logic8/ ilast(1)
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common /logic9/ nia(3,lpar2)
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common /logic10/ nmxyz(3,1)
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common /logic11/ npxyz(3,1)
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Cedo parameter (lpar1=30,lpar2=4495,lpar3=4060,lpar4=9,lpar5=29)
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#include "texas_lpar.fh"
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cxx
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c
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data half /0.5d0/
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@ -1,4 +1,4 @@
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* $Id$
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* $Id: memoha.f 19696 2010-10-29 16:53:42Z d3y133 $
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c====================================================================
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c kw Feb. 18,1994
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c there is the new subroutine memo5 (memory handling for pairs)
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@ -64,10 +64,7 @@ c--
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* NQI,NQJ,NQK,NQL,NSIJ,NSKL,
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* NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
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c
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common /logic1/ ndege(1)
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common /logic2/ len(1)
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common /logic3/ lensm(1)
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common /logic4/ nfu(1)
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#include "texas_lpar.fh"
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c
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COMMON/SHELL/LSHELLT,LSHELIJ,LSHELKL,LHELP,LCAS2(4),LCAS3(4)
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common /memor4/ iwt0,iwt1,iwt2,ibuf,ibuf2,
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@ -428,7 +425,7 @@ c--
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* NQI,NQJ,NQK,NQL,NSIJ,NSKL,
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* NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
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C
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common /logic4/ nfu(1)
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#include "texas_lpar.fh"
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c
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COMMON/SHELL/LSHELLT,LSHELIJ,LSHELKL,LHELP,LCAS2(4),LCAS3(4)
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common /memor4/ iwt0,iwt1,iwt2,ibuf,ibuf2,
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@ -714,7 +714,7 @@ c HABCD is used only in TRACY's recursive in routines TRACIJ, TRACKL
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c-----------------------------------------------------------------------
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implicit real*8 (a-h,o-z)
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common /contr/ ngci,ngcj,ngck,ngcl,lci,lcj,lck,lcl,lcij,lckl
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common /logicd/ hnia(3,1)
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#include "texas_lpar.fh"
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c
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common/obarai/
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* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
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@ -1736,7 +1736,7 @@ c
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c====================================================================
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subroutine precal2c_2(lcij,lckl,rapb,rcpd,habcd,nfumax)
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implicit real*8 (a-h,o-z)
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common /logicd/ hnia(3,1)
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#include "texas_lpar.fh"
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c
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common/obarai/
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* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
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@ -1,4 +1,4 @@
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c $Id$
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c $Id: prepint.f 19696 2010-10-29 16:53:42Z d3y133 $
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cccc subroutine prepint2(bl,eps,inuc,ibas,na,nbf,nsh,ncf,ncs,inx,
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subroutine prepint2(bl, inuc,ibas,na,nbf,nsh,ncf,ncs,inx,
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* lcore,maxprice,scftype)
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@ -19,7 +19,7 @@ c parameter (lpar1=26,lpar2=2925,lpar3=2600,lpar4=8,lpar5=25)
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c up to jj,jj :
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c parameter (lpar1=30,lpar2=4495,lpar3=4060,lpar4=9,lpar5=29)
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c up to kk,kk (which is ii,ii + 2 )
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parameter (lpar1=34,lpar2=6545,lpar3=5984,lpar4=10,lpar5=33)
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cold parameter (lpar1=34,lpar2=6545,lpar3=5984,lpar4=10,lpar5=33)
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c up to ll,ll :
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c parameter (lpar1=38,lpar2=9139,lpar3=8436,lpar4=11,lpar5=37)
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c up to mm,mm :
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@ -33,19 +33,7 @@ c
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common /number/ zero,half,one,two,three,four,five,ten,ten6,tenm8,p
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1i,acc
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c
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common /logicd/ hnia(3,lpar2)
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common /logic1/ ndege(lpar4)
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common /logic2/ len(lpar4)
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common /logic3/ lensm(lpar5)
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c
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common /logic4/ nfu(lpar1)
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common /logic5/ icoor(lpar2)
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common /logic6/ icool(lpar2)
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common /logic7/ ifrst(lpar2)
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common /logic8/ ilast(lpar2)
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common /logic9/ nia(3,lpar2)
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common /logic10/ nmxyz(3,lpar2)
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common /logic11/ npxyz(3,lpar3)
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#include "texas_lpar.fh"
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cxx
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common /cpu/ intsize,iacc,icache,memreal
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common /infor/ icheck,firstd,ndirect,nprint,iblok,nbeg,nend
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@ -144,9 +144,7 @@ c
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common /cpu/ intsize,iacc,icache,memreal
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common /mem_max_min/ ispblx,maxme1,max_111,iforwhat
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c
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common /logic1/ ndege(1)
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common /logic2/ lenn(1)
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common /logic3/ lensm(1)
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#include "texas_lpar.fh"
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c
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dimension inx(12,*),nblock1(0:*)
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dimension npar(*)
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@ -258,7 +256,7 @@ c
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if(jtype.gt.4) jtype1=jtype-1
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if(itype1.gt.5) itype1=itype1-1
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if(jtype1.gt.5) jtype1=jtype1-1
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nfij=lenn(itype1)*lenn(jtype1)
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nfij=len(itype1)*len(jtype1)
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c
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lci=inx(5,ics1)-inx(1,ics1)
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lcj=inx(5,jcs1)-inx(1,jcs1)
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@ -283,7 +281,7 @@ c
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if(ltype.gt.4) ltype1=ltype-1
|
||||
if(ktype1.gt.5) ktype1=ktype1-1
|
||||
if(ltype1.gt.5) ltype1=ltype1-1
|
||||
nfkl=lenn(ktype1)*lenn(ltype1)
|
||||
nfkl=len(ktype1)*len(ltype1)
|
||||
nfijkl=nfij*nfkl
|
||||
c
|
||||
lck=inx(5,kcs1)-inx(1,kcs1)
|
||||
|
|
@ -593,10 +591,7 @@ c----------------------------------------------------------------------
|
|||
* NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
|
||||
COMMON/SHELL/LSHELLT,LSHELIJ,LSHELKL,LHELP,LCAS2(4),LCAS3(4)
|
||||
c----------------------------------------------------------------------
|
||||
common /logic4/ nfu(1)
|
||||
common /logic1/ ndege(1)
|
||||
common /logic2/ len(1)
|
||||
common /logic3/ lensm(1)
|
||||
#include "texas_lpar.fh"
|
||||
c----------------------------------------------------------------------
|
||||
c ifor=1 for ordinary two-el.integrals
|
||||
c ifor=2 for NMR GIAO integral derivatives
|
||||
|
|
@ -778,10 +773,7 @@ c----------------------------------------------------------------------
|
|||
* NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
|
||||
COMMON/SHELL/LSHELLT,LSHELIJ,LSHELKL,LHELP,LCAS2(4),LCAS3(4)
|
||||
c----------------------------------------------------------------------
|
||||
common /logic4/ nfu(1)
|
||||
common /logic1/ ndege(1)
|
||||
common /logic2/ len(1)
|
||||
common /logic3/ lensm(1)
|
||||
#include "texas_lpar.fh"
|
||||
c----------------------------------------------------------------------
|
||||
n_times=1
|
||||
if(ifor.eq.2) n_times= 6 ! giao Ist derivatives
|
||||
|
|
@ -972,10 +964,7 @@ c==============================================================
|
|||
* NQI,NQJ,NQK,NQL,NSIJ,NSKL,
|
||||
* NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
|
||||
COMMON/SHELL/LSHELLT,LSHELIJ,LSHELKL,LHELP,LCAS2(4),LCAS3(4)
|
||||
common /logic1/ ndege(1)
|
||||
common /logic2/ len(1)
|
||||
common /logic3/ lensm(1)
|
||||
common /logic4/ nfu(1)
|
||||
#include "texas_lpar.fh"
|
||||
c------------------------------------------
|
||||
c Memory requested in the Memo4a subroutine
|
||||
c------------------------------------------
|
||||
|
|
@ -1167,7 +1156,7 @@ c--
|
|||
* NQI,NQJ,NQK,NQL,NSIJ,NSKL,
|
||||
* NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbeg,klbeg
|
||||
C
|
||||
common /logic4/ nfu(1)
|
||||
#include "texas_lpar.fh"
|
||||
c
|
||||
COMMON/SHELL/LSHELLT,LSHELIJ,LSHELKL,LHELP,LCAS2(4),LCAS3(4)
|
||||
c------------------------------------------
|
||||
|
|
@ -1455,10 +1444,7 @@ C$PRAGMA SUN OPT=2
|
|||
subroutine get_price1(inx,ics1,jcs1,kcs1,lcs1,nfijkl,nprice)
|
||||
common /local_info/ mmax,itype,jtype,ktype,ltype,
|
||||
* icont,jcont,kcont,lcont
|
||||
common /logic1/ ndege(1)
|
||||
common /logic2/ lenn(1)
|
||||
common /logic3/ lensm(1)
|
||||
common /logic4/ nfu(1)
|
||||
#include "texas_lpar.fh"
|
||||
dimension inx(12,*)
|
||||
c------------------------- ij part -----------
|
||||
itype=inx(12,ics1)
|
||||
|
|
@ -1476,7 +1462,7 @@ c------------------------- ij part -----------
|
|||
ngcj=inx(4,jcs1)
|
||||
ngci1=ngci+1
|
||||
ngcj1=ngcj+1
|
||||
nfij =lenn(itype1)*lenn(jtype1)
|
||||
nfij =len(itype1)*len(jtype1)
|
||||
ngcij =ngci1*ngcj1
|
||||
c
|
||||
nqi=ndege(itype1)
|
||||
|
|
@ -1512,7 +1498,7 @@ c
|
|||
c
|
||||
c---------------------- ijkl part -----------
|
||||
c
|
||||
nfijkl=nfij*lenn(ktype1)*lenn(ltype1)
|
||||
nfijkl=nfij*len(ktype1)*len(ltype1)
|
||||
mmax=nsij+nskl-1
|
||||
c
|
||||
c---------------------------------------------
|
||||
|
|
@ -2111,7 +2097,7 @@ c
|
|||
c===============================================================
|
||||
subroutine get_max_am(itype1,jtype1,ktype1,ltype1,mmax,
|
||||
* nsij,nskl,nqmax)
|
||||
common /logic1/ ndege(1)
|
||||
#include "texas_lpar.fh"
|
||||
c
|
||||
c returns total angular momentum for (ij,kl) quartet
|
||||
c-
|
||||
|
|
|
|||
|
|
@ -315,8 +315,7 @@ ctime
|
|||
common /lengt/ ilen,jlen,klen,llen, ilen1,jlen1,klen1,llen1
|
||||
common /gcont/ ngci1,ngcj1,ngck1,ngcl1,ngcd
|
||||
c
|
||||
common /logic2/ len(1)
|
||||
common /logic4/ nfu(1)
|
||||
#include "texas_lpar.fh"
|
||||
common/obarai/
|
||||
* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,mmax,
|
||||
* nqi,nqj,nqk,nql,nsij,nskl,
|
||||
|
|
@ -800,7 +799,7 @@ c
|
|||
common /contr/ ngci,ngcj,ngck,ngcl,lci,lcj,lck,lcl,lc12,lc34
|
||||
common /gcont/ ngci1,ngcj1,ngck1,ngcl1,ngcd
|
||||
c
|
||||
common /logic4/ nfu(1)
|
||||
#include "texas_lpar.fh"
|
||||
c
|
||||
common/obarai/
|
||||
* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,mmax,
|
||||
|
|
@ -1182,7 +1181,7 @@ c
|
|||
common /types/itype,jtype,ktype,ltype,itype1,jtype1,ktype1,ltype1
|
||||
common /contr/ ngci,ngcj,ngck,ngcl,lci,lcj,lck,lcl,lc12,lc34
|
||||
common /gcont/ ngci1,ngcj1,ngck1,ngcl1,ngcd
|
||||
common /logic4/ nfu(1)
|
||||
#include "texas_lpar.fh"
|
||||
COMMON/SHELL/LSHELLT,LSHELIJ,LSHELKL,LHELP,LCAS2(4),LCAS3(4)
|
||||
common/obarai/
|
||||
* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,mmax,
|
||||
|
|
@ -1358,7 +1357,7 @@ c
|
|||
common /contr/ ngci,ngcj,ngck,ngcl,lci,lcj,lck,lcl,lc12,lc34
|
||||
common /gcont/ ngci1,ngcj1,ngck1,ngcl1,ngcd
|
||||
c
|
||||
common /logic4/ nfu(1)
|
||||
#include "texas_lpar.fh"
|
||||
c
|
||||
common/obarai/
|
||||
* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,mmax,
|
||||
|
|
@ -1755,7 +1754,7 @@ c
|
|||
common /types/itype,jtype,ktype,ltype,itype1,jtype1,ktype1,ltype1
|
||||
common /contr/ ngci,ngcj,ngck,ngcl,lci,lcj,lck,lcl,lc12,lc34
|
||||
common /gcont/ ngci1,ngcj1,ngck1,ngcl1,ngcd
|
||||
common /logic4/ nfu(1)
|
||||
#include "texas_lpar.fh"
|
||||
COMMON/SHELL/LSHELLT,LSHELIJ,LSHELKL,LHELP,LCAS2(4),LCAS3(4)
|
||||
common/obarai/
|
||||
* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,mmax,
|
||||
|
|
|
|||
31
src/NWints/texas/texas_lpar.fh
Normal file
31
src/NWints/texas/texas_lpar.fh
Normal file
|
|
@ -0,0 +1,31 @@
|
|||
c dimensions for logical matrices in TWELINT :
|
||||
c
|
||||
c up to ff,ff :
|
||||
c parameter (lpar1=14,lpar2= 455,lpar3= 364,lpar4=5,lpar5=13)
|
||||
c up to gg,gg :
|
||||
c parameter (lpar1=18,lpar2= 969,lpar3= 816,lpar4=6,lpar5=17)
|
||||
c up to hh,hh :
|
||||
c parameter (lpar1=22,lpar2=1771,lpar3=1540,lpar4=7,lpar5=21)
|
||||
c up to ii,ii :
|
||||
c parameter (lpar1=26,lpar2=2925,lpar3=2600,lpar4=8,lpar5=25)
|
||||
cxx
|
||||
integer lpar1,lpar2,lpar3,lpar4,lpar5
|
||||
integer ndege,len,lensm
|
||||
integer nfu,icoor,icool,ifrst,ilast,nia,nmxyz,npxyz
|
||||
double precision hnia
|
||||
parameter (lpar1=30,lpar2=4495,lpar3=4060,lpar4=9,lpar5=29)
|
||||
common /logicd/ hnia(3,lpar2)
|
||||
common /logic1/ ndege(lpar4)
|
||||
common /logic2/ len(lpar4)
|
||||
common /logic3/ lensm(lpar5)
|
||||
c
|
||||
common /logic4/ nfu(lpar1)
|
||||
common /logic5/ icoor(lpar2)
|
||||
common /logic6/ icool(lpar2)
|
||||
common /logic7/ ifrst(lpar2)
|
||||
common /logic8/ ilast(lpar2)
|
||||
common /logic9/ nia(3,lpar2)
|
||||
common /logic10/ nmxyz(3,lpar2)
|
||||
common /logic11/ npxyz(3,lpar3)
|
||||
|
||||
|
||||
|
|
@ -447,7 +447,7 @@ c=======================================================================
|
|||
subroutine copy_unstable_3(nbls1, iq_u,nbls1_u,mmax,
|
||||
* p1234,abcd,habcdx )
|
||||
implicit real*8 (a-h,o-z)
|
||||
common /logic4/ nfu(1)
|
||||
#include "texas_lpar.fh"
|
||||
dimension iq_u(*)
|
||||
c dimension p1234(nbls1,3),abcd(nbls1),habcdx(nbls1,3,nfu(mmax))
|
||||
dimension p1234(*) ,abcd(*) ,habcdx(*)
|
||||
|
|
@ -488,7 +488,7 @@ c=======================================================================
|
|||
subroutine copy_unstable_4(nbls1,iq_u,nbls1_u,nqij,nqkl,
|
||||
* wt0,wt0_u, lnij,lnkl)
|
||||
implicit real*8 (a-h,o-z)
|
||||
common /logic4/ nfu(1)
|
||||
#include "texas_lpar.fh"
|
||||
c
|
||||
dimension iq_u(*)
|
||||
dimension wt0(nbls1,lnij,lnkl), wt0_u(nbls1_u,lnij,lnkl)
|
||||
|
|
@ -550,7 +550,7 @@ c
|
|||
c====================================================================
|
||||
subroutine wt0wt1(wt0,l01,l02,nbls,wt1,l11,l12,nsij,nskl,lab)
|
||||
implicit real*8 (a-h,o-z)
|
||||
common /logic4/ nfu(1)
|
||||
#include "texas_lpar.fh"
|
||||
dimension wt0(nbls,l01,l02),wt1(nbls,l11,l12)
|
||||
c
|
||||
#ifdef XLF11
|
||||
|
|
@ -609,12 +609,7 @@ c========================
|
|||
subroutine obasai_1(rhoapb,abnia,xpa,xwp,mmax,immax,xt,
|
||||
* l11,l12,nbls)
|
||||
implicit real*8 (a-h,o-z)
|
||||
common /logic4/ nfu(1)
|
||||
common /logic5/ icoor(1)
|
||||
common /logic7/ ifrst(1)
|
||||
common /logic9/ nia(3,1)
|
||||
common /logic10/ nmxyz(3,1)
|
||||
common /logic11/ npxyz(3,1)
|
||||
#include "texas_lpar.fh"
|
||||
dimension xt(nbls,l11,l12)
|
||||
dimension abnia(nbls,*),rhoapb(*)
|
||||
dimension xpa(nbls,3),xwp(nbls,3)
|
||||
|
|
@ -653,12 +648,7 @@ c========================
|
|||
subroutine obasai_2(rhoapb,abnia,xpa,xwp,mmax,immax,xt,
|
||||
* l11,l12,nbls)
|
||||
implicit real*8 (a-h,o-z)
|
||||
common /logic4/ nfu(1)
|
||||
common /logic5/ icoor(1)
|
||||
common /logic7/ ifrst(1)
|
||||
common /logic9/ nia(3,1)
|
||||
common /logic10/ nmxyz(3,1)
|
||||
common /logic11/ npxyz(3,1)
|
||||
#include "texas_lpar.fh"
|
||||
c
|
||||
dimension xt(nbls,l11,l12)
|
||||
dimension xpa(nbls,3),xwp(nbls,3)
|
||||
|
|
@ -738,7 +728,7 @@ c
|
|||
c=================================================================
|
||||
subroutine wt2wt1(wt2,mem2,nbls,wt1,l11,l12,mmax)
|
||||
implicit real*8 (a-h,o-z)
|
||||
common /logic4/ nfu(1)
|
||||
#include "texas_lpar.fh"
|
||||
dimension wt1(nbls,l11,l12),wt2(nbls,mem2)
|
||||
c
|
||||
do 145 inp=1,nfu(mmax+1)
|
||||
|
|
@ -800,7 +790,7 @@ c
|
|||
* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
|
||||
* NQI,NQJ,NQK,NQL,NSIJ,NSKL,
|
||||
* NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbex,klbex
|
||||
common /logic4/ nfu(1)
|
||||
#include "texas_lpar.fh"
|
||||
C
|
||||
dimension wt0(nbls,l01,l02),wt2(nbls,mem2)
|
||||
dimension p1234(nbls,3)
|
||||
|
|
@ -880,7 +870,7 @@ c
|
|||
* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
|
||||
* NQI,NQJ,NQK,NQL,NSIJ,NSKL,
|
||||
* NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbex,klbex
|
||||
common /logic4/ nfu(1)
|
||||
#include "texas_lpar.fh"
|
||||
dimension wt0(nbls,l01,l02),wt2(nbls,mem2)
|
||||
dimension p1234(nbls,3)
|
||||
ccccc dimension abcd(nbls),habcd(nbls,3,*)
|
||||
|
|
@ -970,7 +960,7 @@ c
|
|||
* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
|
||||
* NQI,NQJ,NQK,NQL,NSIJ,NSKL,
|
||||
* NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbex,klbex
|
||||
common /logic4/ nfu(1)
|
||||
#include "texas_lpar.fh"
|
||||
C
|
||||
dimension wt0(nbls,l01,l02),wt2(nbls,mem2)
|
||||
dimension p1234(nbls,3)
|
||||
|
|
@ -1040,7 +1030,7 @@ c
|
|||
* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
|
||||
* NQI,NQJ,NQK,NQL,NSIJ,NSKL,
|
||||
* NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbex,klbex
|
||||
common /logic4/ nfu(1)
|
||||
#include "texas_lpar.fh"
|
||||
C
|
||||
dimension wt0(nbls,l01,l02),wt2(nbls,mem2)
|
||||
dimension p1234(nbls,3)
|
||||
|
|
@ -1144,11 +1134,7 @@ c========================
|
|||
* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
|
||||
* NQI,NQJ,NQK,NQL,NSIJ,NSKL,
|
||||
* NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbex,klbex
|
||||
common /logic4/ nfu(1)
|
||||
common /logic5/ icoor(1)
|
||||
common /logic7/ ifrst(1)
|
||||
common /logic10/ nmxyz(3,1)
|
||||
common /logic11/ npxyz(3,1)
|
||||
#include "texas_lpar.fh"
|
||||
common /tracy/ kbeg,kend,i0b,i0e,nrec
|
||||
c
|
||||
dimension xt0(nbls,l01,l02),xt1(nbls,l1b,l1e),
|
||||
|
|
@ -1216,11 +1202,7 @@ c========================
|
|||
* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
|
||||
* NQI,NQJ,NQK,NQL,NSIJ,NSKL,
|
||||
* NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbex,klbex
|
||||
common /logic4/ nfu(1)
|
||||
common /logic5/ icoor(1)
|
||||
common /logic7/ ifrst(1)
|
||||
common /logic10/ nmxyz(3,1)
|
||||
common /logic11/ npxyz(3,1)
|
||||
#include "texas_lpar.fh"
|
||||
common /tracy/ kbeg,kend,i0b,i0e,nrec
|
||||
c
|
||||
dimension xt0(nbls,l01,l02),xt1(nbls,l1b,l1e),
|
||||
|
|
@ -1328,11 +1310,7 @@ c
|
|||
* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
|
||||
* NQI,NQJ,NQK,NQL,NSIJ,NSKL,
|
||||
* NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbex,klbex
|
||||
common /logic4/ nfu(1)
|
||||
common /logic5/ icoor(1)
|
||||
common /logic7/ ifrst(1)
|
||||
common /logic10/ nmxyz(3,1)
|
||||
common /logic11/ npxyz(3,1)
|
||||
#include "texas_lpar.fh"
|
||||
common /tracy/ ibeg,iend,k0b,k0e,nrec
|
||||
c
|
||||
dimension xt0(nbls,l01,l02),xt1(nbls,l1b,l1e),
|
||||
|
|
@ -1403,11 +1381,7 @@ c=========================
|
|||
* lni,lnj,lnk,lnl,lnij,lnkl,lnijkl,MMAX,
|
||||
* NQI,NQJ,NQK,NQL,NSIJ,NSKL,
|
||||
* NQIJ,NQIJ1,NSIJ1,NQKL,NQKL1,NSKL1,ijbex,klbex
|
||||
common /logic4/ nfu(1)
|
||||
common /logic5/ icoor(1)
|
||||
common /logic7/ ifrst(1)
|
||||
common /logic10/ nmxyz(3,1)
|
||||
common /logic11/ npxyz(3,1)
|
||||
#include "texas_lpar.fh"
|
||||
common /tracy/ ibeg,iend,k0b,k0e,nrec
|
||||
c
|
||||
dimension xt0(nbls,l01,l02),xt1(nbls,l1b,l1e),
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue