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modified output of directions info

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Ricky Kendall 1999-01-19 23:50:04 +00:00
parent a31c1202e4
commit b0d2b27f68
1 changed files with 19 additions and 5 deletions
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24
src/stepper/stpr_gh_at.F
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@ -1,7 +1,7 @@
logical function stpr_gen_hess_at(rtdb,delta)
implicit none
*
* $Id: stpr_gh_at.F,v 1.17 1998-12-11 23:35:22 windus Exp $
* $Id: stpr_gh_at.F,v 1.18 1999-01-19 23:50:04 d3e129 Exp $
* routine to generate hessian at current geometry using default basis set
* ra kendall 7/95 PNL
*
@ -50,6 +50,8 @@ c:: local
integer time_taskg, print_level
double precision xyz(3), chg
double precision pdipole(3), mdipole(3)
integer date_len
character*40 date_string
character*255 tmpname
character*16 tag_name
character*40 new_geom_name
@ -373,8 +375,14 @@ c
ignore_status = rtdb_parallel(.false.)
if(whoiam.eq.master) then
if (o_directions) then
write(luout,*)' iatom = ',iatom, ' ixyz = ',
& ixyz,' plus '
call util_date(date_string)
date_len = inp_strlen(date_string)
write(luout,
& '(1x,a5,i4,1x,a4,i2,a3,1x,a10,f10.1,6x,a5,a27)')
& 'atom:',iatom,
& 'xyz:',ixyz,'(+)',
& 'wall time:',util_wallsec(),
& 'date:',date_string(1:date_len)
call util_flush(luout)
endif
c
@ -458,8 +466,14 @@ c
& 3,pdipole)) dipole_okay = .false.
c
if (o_directions) then
write(luout,*)
& ' iatom = ',iatom, ' ixyz = ',ixyz,' minus'
call util_date(date_string)
date_len = inp_strlen(date_string)
write(luout,
& '(1x,a5,i4,1x,a4,i2,a3,1x,a10,f10.1,6x,a5,a27)')
& 'atom:',iatom,
& 'xyz:',ixyz,'(-)',
& 'wall time:',util_wallsec(),
& 'date:',date_string(1:date_len)
call util_flush(luout)
endif
c