diff --git a/src/ddscf/rohf_hessv2.F b/src/ddscf/rohf_hessv2.F index 83063d0b88..1b84754135 100644 --- a/src/ddscf/rohf_hessv2.F +++ b/src/ddscf/rohf_hessv2.F @@ -17,10 +17,10 @@ subroutine rohf_hessv2( acc, g_x, g_ax ) integer icol,ilo(2),ihi(2) logical oprint, olprint double precision dnrm - integer rohf_get_rtdb - external rohf_get_rtdb + integer scf_get_rtdb + external scf_get_rtdb c - rtdb = rohf_get_rtdb() + rtdb = scf_get_rtdb() c c Check c diff --git a/src/ddscf/rohf_wrap.F b/src/ddscf/rohf_wrap.F index 03f84eb5cc..95f267b7f9 100644 --- a/src/ddscf/rohf_wrap.F +++ b/src/ddscf/rohf_wrap.F @@ -13,19 +13,19 @@ block data crohf_data $ noskew/.true./ end - subroutine rohf_set_rtdb(rtdb) + subroutine scf_set_rtdb(rtdb) implicit none integer rtdb integer rtdbcopy - common /rohfrtdbcommon/ rtdbcopy + common /scrtdbcommon/ rtdbcopy rtdbcopy = rtdb end - integer function rohf_get_rtdb() + integer function scf_get_rtdb() implicit none integer rtdbcopy - common /rohfrtdbcommon/ rtdbcopy - rohf_get_rtdb = rtdbcopy + common /scfrtdbcommon/ rtdbcopy + scf_get_rtdb = rtdbcopy end subroutine rohf_init( rtdb) @@ -43,7 +43,7 @@ subroutine rohf_init( rtdb) integer rtdb external crohf_data ! For T3D linker c - call rohf_set_rtdb(rtdb) + call scf_set_rtdb(rtdb) c if (crohf_init_flag.gt.0) $ call errquit('rohf internals already initialised?',0, @@ -255,10 +255,10 @@ subroutine rohf_hessv( acc, g_x, g_ax ) c integer gtype,grow,gcol,growp,gcolp c - integer rohf_get_rtdb - external rohf_get_rtdb + integer scf_get_rtdb + external scf_get_rtdb c - rtdb = rohf_get_rtdb() + rtdb = scf_get_rtdb() c c Check c diff --git a/src/ddscf/uhf.F b/src/ddscf/uhf.F index 93dba6a56c..23becc9bfd 100644 --- a/src/ddscf/uhf.F +++ b/src/ddscf/uhf.F @@ -192,6 +192,7 @@ subroutine uhf_init(rtdb) #include "global.fh" #include "mafdecls.fh" integer rtdb + call scf_set_rtdb(rtdb) c cuhf_vlen = nalpha*(nmo-nalpha) + nbeta*(nmo-nbeta) c diff --git a/src/ddscf/uhf_hessv.F b/src/ddscf/uhf_hessv.F index 166bd57614..0eb03bb358 100644 --- a/src/ddscf/uhf_hessv.F +++ b/src/ddscf/uhf_hessv.F @@ -1,4 +1,4 @@ - subroutine uhf_hessv(rtdb, acc, g_x, g_ax) + subroutine uhf_hessv(acc, g_x, g_ax) * * $Id$ * @@ -24,9 +24,13 @@ subroutine uhf_hessv(rtdb, acc, g_x, g_ax) integer ilo(2),ihi(2) c logical oprint, olprint + integer scf_get_rtdb + external scf_get_rtdb c oprint = util_print("hessv",print_high) olprint = oprint .and. (ga_nodeid().eq.0) + + rtdb = scf_get_rtdb() c c Multiply a set of vectors by the level-shifted UHF hessian. c