Commit 81ab90c5 authored by Matthias Redies's avatar Matthias Redies

fix allocation issue

parent ccc1f5fa
......@@ -219,9 +219,6 @@ CONTAINS
END IF
! set up the overlap matrix
allocate(eigv(full_n_radbasfn, full_n_radbasfn), source=0.0)
allocate(work(3*full_n_radbasfn), source=0.0)
allocate(eig(full_n_radbasfn), source=0.0)
i_basfn = 0
! valence*valence
......
......@@ -312,7 +312,9 @@ contains
n = size(olap, dim=1)
if(size(eig_val) /= n) deallocate(eig_val)
if(allocated(eig_val)) then
if(size(eig_val) /= n) deallocate(eig_val)
endif
if(.not. allocated(eig_val)) allocate(eig_val(n))
eig_vec = olap
......
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