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initialized debug flag to false, tweaked print statement for 80 char width output, standard module title
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3 changed files with 10 additions and 8 deletions
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@ -1,6 +1,6 @@
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logical function hnd_property(rtdb)
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*
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* $Id: hnd_property.F,v 1.3 1997-06-24 16:56:32 mdupuis Exp $
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* $Id: hnd_property.F,v 1.4 1997-07-30 02:07:44 d3g681 Exp $
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*
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implicit none
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#include "mafdecls.fh"
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@ -48,7 +48,7 @@ c
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c
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if (ga_nodeid().eq.0) then
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if (util_print('information',print_low)) then
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call util_print_centered(luout,'NWCHEM HND_PROP Module',
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call util_print_centered(luout,'NWChem Property Module',
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$ 40,.true.)
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write(luout,*)
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call util_flush(luout)
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@ -5,7 +5,7 @@ c
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c>>> Inquire rtdb for properties to be evaluated.
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c
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*
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* $Id: prop.F,v 1.8 1997-07-10 22:31:12 mdupuis Exp $
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* $Id: prop.F,v 1.9 1997-07-30 02:07:44 d3g681 Exp $
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*
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implicit none
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integer rtdb ! [input]
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@ -24,8 +24,8 @@ c
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call ga_sync()
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status = rtdb_parallel(.true.) ! Broadcast reads to all processes
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if(ga_nodeid().eq.0)
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$ call util_print_centered(LUout,'Properties',40,.true.)
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* if(ga_nodeid().eq.0)
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* $ call util_print_centered(LUout,'Properties',40,.true.)
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c
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c hondo property calculation routines
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c
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@ -1,5 +1,5 @@
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*
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* $Id: prp.F,v 1.22 1997-07-10 22:31:13 mdupuis Exp $
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* $Id: prp.F,v 1.23 1997-07-30 02:07:47 d3g681 Exp $
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*
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SUBROUTINE HND_PROPTY(RTDB,BASIS,GEOM)
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IMPLICIT DOUBLE PRECISION (A-H,O-Z)
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@ -193,9 +193,9 @@ C
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9999 FORMAT(/,' ----- property selection -----',/,
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1 ' nodip =',I2,' noqdp =',I2,' nootp =',I2,
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2 ' nopop =',I2,' nospin=',I2,
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3 ' noloc =',I2,' nodpl =',I2,' nodhp =',I2,' nod2hp=',I2,/,
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3 ' noloc =',I2,' nodpl =',I2,/,' nodhp =',I2,' nod2hp=',I2,
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4 ' nofpl =',I2,' nofhp =',I2,' nof2hp=',I2,' nosos =',I2,
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5 ' noelp =',I2,' noelf =',I2,' noelfg=',I2,' noden =',I2,
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5 ' noelp =',I2,/,' noelf =',I2,' noelfg=',I2,' noden =',I2,
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6 ' nonmr =',I2,' noston=',I2)
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9998 FORMAT(' runtyp = --',A8,'--',/,' scftyp = --',A8,'--')
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END
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@ -10884,6 +10884,8 @@ C
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data blank/' '/
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c
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c ----- fill basis function symbol table -----
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c
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debug = .false.
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c
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n = 0
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lastat=0
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