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qp2
mirror of https://github.com/QuantumPackage/qp2.git
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Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-stable

This commit is contained in:
Anthony Scemama 2023-04-21 15:15:40 +02:00
parent 94662d3da0 6b4bf5b601
commit a1debf8102
5 changed files with 6 additions and 6 deletions
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2
external/ezfio vendored

@ -1 +1 @@
Subproject commit d5805497fa0ef30e70e055cde1ecec2963303e93
Subproject commit ed1df9f3c1f51752656ca98da5693a4119add05c

2
external/irpf90 vendored

@ -1 +1 @@
Subproject commit 0007f72f677fe7d61c5e1ed461882cb239517102
Subproject commit 33ca5e1018f3bbb5e695e6ee558f5dac0753b271

2
external/qp2-dependencies vendored

@ -1 +1 @@
Subproject commit e0d0e02e9f5ece138d1520106954a881ab0b8db2
Subproject commit fd43778e12bb5858c4c780c34346be0f158b8cc7

2
scripts/compilation/qp_create_ninja
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@ -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):

4
src/davidson/diagonalization_hs2_dressed.irp.f
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@ -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), &