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https://github.com/TREX-CoE/irpjast.git
synced 2024-08-24 22:21:47 +02:00
Fixed allocation of temp buffers.
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e2f1404784
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@ -7,10 +7,13 @@
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END_DOC
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integer :: i, j, a, p, k, l, lmax, m, n
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double precision :: cn(ncord), accu
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double precision :: f(nnuc,0:ncord-2,0:ncord-2)
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double precision :: tmp_c(nelec,nnuc,0:ncord,0:ncord-1)
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double precision :: dtmp_c(4,nelec,nnuc,0:ncord,0:ncord-1)
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double precision :: accu
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double precision,dimension(:),allocatable :: cn
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double precision,dimension(:,:,:,:),allocatable :: tmp_c
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double precision,dimension(:,:,:,:,:),allocatable :: dtmp_c
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allocate(cn(ncord))
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allocate(tmp_c(nelec,nnuc,0:ncord,0:ncord-1))
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allocate(dtmp_c(4,nelec,nnuc,0:ncord,0:ncord-1))
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factor_een_blas = 0.0d0
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factor_een_deriv_e_blas(1:4,1:nelec) = 0.0d0
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@ -71,4 +74,7 @@
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enddo
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enddo
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deallocate(cn)
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deallocate(tmp_c)
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deallocate(dtmp_c)
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END_PROVIDER
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