diff --git a/external/ezfio b/external/ezfio index d5805497..ed1df9f3 160000 --- a/external/ezfio +++ b/external/ezfio @@ -1 +1 @@ -Subproject commit d5805497fa0ef30e70e055cde1ecec2963303e93 +Subproject commit ed1df9f3c1f51752656ca98da5693a4119add05c diff --git a/external/irpf90 b/external/irpf90 index 0007f72f..33ca5e10 160000 --- a/external/irpf90 +++ b/external/irpf90 @@ -1 +1 @@ -Subproject commit 0007f72f677fe7d61c5e1ed461882cb239517102 +Subproject commit 33ca5e1018f3bbb5e695e6ee558f5dac0753b271 diff --git a/external/qp2-dependencies b/external/qp2-dependencies index e0d0e02e..fd43778e 160000 --- a/external/qp2-dependencies +++ b/external/qp2-dependencies @@ -1 +1 @@ -Subproject commit e0d0e02e9f5ece138d1520106954a881ab0b8db2 +Subproject commit fd43778e12bb5858c4c780c34346be0f158b8cc7 diff --git a/scripts/compilation/qp_create_ninja b/scripts/compilation/qp_create_ninja index aad85778..27b34901 100755 --- a/scripts/compilation/qp_create_ninja +++ b/scripts/compilation/qp_create_ninja @@ -25,7 +25,7 @@ except ImportError: "quantum_package.rc")) print("\n".join(["", "Error:", "source %s" % f, ""])) - sys.exit(1) + raise # Compress path def comp_path(path): diff --git a/src/davidson/diagonalization_hs2_dressed.irp.f b/src/davidson/diagonalization_hs2_dressed.irp.f index bbbab2d4..dc42b9a8 100644 --- a/src/davidson/diagonalization_hs2_dressed.irp.f +++ b/src/davidson/diagonalization_hs2_dressed.irp.f @@ -466,8 +466,8 @@ subroutine davidson_diag_hjj_sjj(dets_in,u_in,H_jj,s2_out,energies,dim_in,sze,N_ double precision, allocatable :: work(:) -! y = h - y = h_p + y = h +! y = h_p lwork = -1 allocate(work(1)) call dsygv(1,'V','U',shift2,y,size(y,1), &