mirror of https://gitlab.com/QEF/q-e.git
38 lines
1.1 KiB
Fortran
38 lines
1.1 KiB
Fortran
!
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! Copyright (C) 2003 PWSCF group
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! This file is distributed under the terms of the
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! GNU General Public License. See the file `License'
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!-----------------------------------------------------------------------
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SUBROUTINE pw_dot(sum_over_nodes,n,m,a,lda,b,ldb,c)
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!-----------------------------------------------------------------------
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!! Calculate m dot products \(c_i = \text{real}( a^*_{ij} b_{ji} )\)
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!! using half G vectors or half PWs.
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!
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USE kinds, ONLY: DP
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USE gvect, ONLY: gstart
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USE mp_pools, ONLY: intra_pool_comm
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USE mp, ONLY: mp_sum
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IMPLICIT NONE
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! input
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INTEGER :: n, m, lda, ldb
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CHARACTER(len=1) sum_over_nodes
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COMPLEX(DP) :: a(lda,m), b(ldb,m)
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! output
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real(DP) :: c(m)
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! local
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INTEGER i
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real(DP), EXTERNAL :: ddot
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!
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DO i= 1,m
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c(i) = 2.d0*ddot(2*n,a(1,i),1,b(1,i),1)
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IF (gstart==2) c(i) = c(i) - dble(a(1,i))*dble(b(1,i))
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ENDDO
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#if defined(__MPI)
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IF (sum_over_nodes=='y'.or.sum_over_nodes=='Y') CALL mp_sum( c, intra_pool_comm )
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#endif
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RETURN
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END SUBROUTINE pw_dot
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