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wrong location of print calls https://github.com/nwchemgit/nwchem/issues/1018#issuecomment-2348586582

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edoapra 2025-09-25 17:39:58 -07:00
parent 6ad8da4e62
commit e9a67c895b
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GPG key ID: 9E6A0B70826967BA
1 changed files with 12 additions and 10 deletions
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22
src/property/hnd_property.F
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@ -141,16 +141,6 @@ c
endif
call util_flush(luout)
endif
if (util_print('geometry',print_high)) then
if (.not. geom_print(geom))
$ call errquit('property: geom_print ?',0, GEOM_ERR)
call util_flush(luout)
endif
if (util_print('basis',print_high)) then
if (.not. bas_print(basis))
$ call errquit('property: bas_print ?',0, BASIS_ERR)
call util_flush(luout)
endif
endif
c
c Set up SCF and DFT stuff for shielding and spinspin CPHF
@ -274,6 +264,18 @@ c
$ call errquit('property: no ao basis ', 0, RTDB_ERR)
if (.not. int_normalize(rtdb,basis))
$ call errquit('property: int_normalize', 0, INT_ERR)
if (ga_nodeid().eq.0) then
if (util_print('geometry',print_high)) then
if (.not. geom_print(geom))
$ call errquit('property: geom_print ?',0, GEOM_ERR)
call util_flush(luout)
endif
if (util_print('basis',print_high)) then
if (.not. bas_print(basis))
$ call errquit('property: bas_print ?',0, BASIS_ERR)
call util_flush(luout)
endif
endif
c
c call hondo property calculation routines
c