diff --git a/src/ddscf/rohf_hessv2.F b/src/ddscf/rohf_hessv2.F index 4724049457..8a60666dd4 100644 --- a/src/ddscf/rohf_hessv2.F +++ b/src/ddscf/rohf_hessv2.F @@ -44,10 +44,8 @@ c ihi(2) = icol call nga_normf_patch(g_x,ilo,ihi,dnrm) if (olprint) then - write(LuOut,'(1x,a,": g_x = ")') - + __FILE__ - write(LuOut,'(1x,i4,f24.8)') - + icol,dnrm + write(LuOut,'(1x,a,": g_x = ",i4,f24.8)') + + 'rohf_hessv2',icol,dnrm endif enddo endif @@ -77,10 +75,8 @@ c ihi(2) = icol call nga_normf_patch(g_ax,ilo,ihi,dnrm) if (olprint) then - write(LuOut,'(1x,a,": g_ax = ")') - F __FILE__ - write(LuOut,'(1x,i4,f24.8)') - + icol,dnrm + write(LuOut,'(1x,a,": g_ax = ",i4,f24.8)') + + 'rohf_hessv2',icol,dnrm endif enddo endif @@ -101,7 +97,7 @@ c integer basis, geom integer nbf, nmo, nclosed, nopen integer pflg - integer g_movecs + integer g_movecs(*) logical oskel, noskew integer g_fcv, g_fpv, g_fcp double precision acc @@ -149,7 +145,7 @@ c integer basis, geom ! basis & geom handle integer nbf, nclosed, nopen ! Basis size and occupation integer nmo ! No. of linearly dependent MOs - integer g_movec ! MO coefficients + integer g_movec(*) ! MO coefficients logical oskel integer g_x ! Argument double precision acc ! Accuracy of "Fock" construction diff --git a/src/ddscf/uhf_hessv2_ext.F b/src/ddscf/uhf_hessv2_ext.F index 5657a22fba..2c3c287cc8 100644 --- a/src/ddscf/uhf_hessv2_ext.F +++ b/src/ddscf/uhf_hessv2_ext.F @@ -88,10 +88,8 @@ c Check dimensions ihi(2) = ivec call nga_normf_patch(g_x,ilo,ihi,dnrm) if (olprint) then - write(LuOut,'(1x," g_x = ")') - F __FILE__ - write(LuOut,'(1x,i4,f24.8)') - + ivec,dnrm + write(LuOut,'(1x," g_x = ",i4,f24.8)') + + 'uhf_hessv3',ivec,dnrm endif enddo endif @@ -235,8 +233,8 @@ c ============== debug g_ax ==================== END ihi(2) = ivec call nga_normf_patch(g_ax,ilo,ihi,dnrm) if (olprint) then -c write(LuOut,'(1x,a,": g_ax = ",i4,f24.8)') -c + __FILE__,ivec,dnrm + write(LuOut,'(1x,a,": g_ax = ",i4,f24.8)') + + 'uhf_hessv3',ivec,dnrm endif enddo endif diff --git a/src/ddscf/uhf_precond_ext.F b/src/ddscf/uhf_precond_ext.F index ac0815e799..916eacd13f 100644 --- a/src/ddscf/uhf_precond_ext.F +++ b/src/ddscf/uhf_precond_ext.F @@ -60,10 +60,8 @@ c shift = lshift + omega ! FA-03-13-14 ihi(2) = ivec call nga_normf_patch(g_x,ilo,ihi,dnrm) if (olprint) then - write(LuOut,'(1x,a,": in g_x = ")') - + __FILE__ - write(LuOut,'(1x,i4,f24.8)') - + ivec,dnrm + write(LuOut,'(1x,a,": in g_x = ",i4,f24.8)') + + 'uhf_hessv_precond3',ivec,dnrm endif enddo endif @@ -114,10 +112,8 @@ c dbl_mb(k_x+j-1)=2.0d0* dbl_mb(k_x+j-1)/denominator ! FA-03-1 ihi(2) = ivec call nga_normf_patch(g_x,ilo,ihi,dnrm) if (olprint) then - write(LuOut,'(1x,a,": out g_x = ")') - + __FILE__ - write(LuOut,'(1x,i4,f24.8)') - + ivec,dnrm + write(LuOut,'(1x,a,": out g_x = ",i4,f24.8)') + + 'uhf_hessv_precond3',ivec,dnrm endif enddo endif @@ -220,10 +216,8 @@ c include factors of 2 ihi(2) = ivec call nga_normf_patch(g_x,ilo,ihi,dnrm) if (olprint) then - write(LuOut,'(1x,a,": in g_x = ")') - + __FILE__ - write(LuOut,'(1x,i4,f24.8)') - + ivec,dnrm + write(LuOut,'(1x,a,": in g_x = ",i4,f24.8)') + + 'uhf_hessv_precond3_damp',ivec,dnrm endif enddo endif @@ -288,10 +282,8 @@ c factor_im = 2.0d0*gamwidth/den ihi(2) = ivec call nga_normf_patch(g_x,ilo,ihi,dnrm) if (olprint) then - write(LuOut,'(1x,a,": out g_x = ")') - + __FILE__ - write(LuOut,'(1x,i4,f24.8)') - + ivec,dnrm + write(LuOut,'(1x,a,": out g_x = ",i4,f24.8)') + + 'uhf_hessv_precond3_damp',ivec,dnrm endif enddo endif