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Fixed allocation of temp buffers.

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This commit is contained in:
vijay gopal chilkuri 2021-03-08 21:55:45 +01:00
parent e2f1404784
commit b22bd73b29
1 changed files with 10 additions and 4 deletions
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14
el_nuc_el_blas.irp.f
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@ -7,10 +7,13 @@
END_DOC
integer :: i, j, a, p, k, l, lmax, m, n
double precision :: cn(ncord), accu
double precision :: f(nnuc,0:ncord-2,0:ncord-2)
double precision :: tmp_c(nelec,nnuc,0:ncord,0:ncord-1)
double precision :: dtmp_c(4,nelec,nnuc,0:ncord,0:ncord-1)
double precision :: accu
double precision,dimension(:),allocatable :: cn
double precision,dimension(:,:,:,:),allocatable :: tmp_c
double precision,dimension(:,:,:,:,:),allocatable :: dtmp_c
allocate(cn(ncord))
allocate(tmp_c(nelec,nnuc,0:ncord,0:ncord-1))
allocate(dtmp_c(4,nelec,nnuc,0:ncord,0:ncord-1))
factor_een_blas = 0.0d0
factor_een_deriv_e_blas(1:4,1:nelec) = 0.0d0
@ -71,4 +74,7 @@
enddo
enddo
deallocate(cn)
deallocate(tmp_c)
deallocate(dtmp_c)
END_PROVIDER