Commit 7575ecc8 authored by Matthias Redies's avatar Matthias Redies

replace all dotprod with fortran standart

parent 902059a1
......@@ -1637,7 +1637,7 @@ CONTAINS
ENDIF
! Explicit normalization here in order to prevent failure of the diagonalization in diagonalize_coulomb
! due to inaccuracies in the overlap matrix (which can make it singular).
!constfunc = coeff / SQRT ( ( SUM(ABS(coeff(:hybrid%nbasp))**2) + dotprod ( coeff(hybrid%nbasp+1:), MATMUL(olap,coeff(hybrid%nbasp+1:)) ) ) )
!constfunc = coeff / SQRT ( ( SUM(ABS(coeff(:hybrid%nbasp))**2) + dot_product ( coeff(hybrid%nbasp+1:), MATMUL(olap,coeff(hybrid%nbasp+1:)) ) ) )
END SUBROUTINE subtract_sphaverage
......
......@@ -290,13 +290,13 @@ CONTAINS
DO n2 = 1, nsest(n1)!n1
nn2 = indx_sest(n2, n1)
exch_vv(nn2, n1) = exch_vv(nn2, n1) + cdum*phase_vv(iband, nn2)* &
dotprod(carr1_v_r(:n), cprod_vv_r(:n, iband, nn2))
dot_product(carr1_v_r(:n), cprod_vv_r(:n, iband, nn2))
END DO !n2
ELSE
DO n2 = 1, nsest(n1)!n1
nn2 = indx_sest(n2, n1)
exch_vv(nn2, n1) = exch_vv(nn2, n1) + cdum*phase_vv(iband, nn2)* &
dotprod(carr1_v_c(:n), cprod_vv_c(:n, iband, nn2))
dot_product(carr1_v_c(:n), cprod_vv_c(:n, iband, nn2))
END DO !n2
END IF
END DO
......
......@@ -1933,13 +1933,13 @@ CONTAINS
if (l_real) THEN
cprod_fourier_trafo_r(igpt, iobd0, iband1) = &
! muffin tin contribution
dotprod(fourier_trafo(:nbasp, igpt), cprod_r(:nbasp, iobd0, iband1)) &
dot_product(fourier_trafo(:nbasp, igpt), cprod_r(:nbasp, iobd0, iband1)) &
! interstitial contribution (interstitial is kronecker_G,G')
+ cprod_r(nbasp + igpt, iobd0, iband1)
else
cprod_fourier_trafo_c(igpt, iobd0, iband1) = &
! muffin tin contribution
dotprod(cprod_c(:nbasp, iobd0, iband1), fourier_trafo(:nbasp, igpt)) &
dot_product(cprod_c(:nbasp, iobd0, iband1), fourier_trafo(:nbasp, igpt)) &
! interstitial contribution (interstitial is kronecker_G,G')
+ CONJG(cprod_c(nbasp + igpt, iobd0, iband1))
endif
......
......@@ -966,9 +966,9 @@ MODULE m_kp_perturbation
END DO
! multiply with right vector
DO iband2 = bandi2, bandf2
momentum(iband2, iband1, 1) = momentum(iband2, iband1, 1) + dotprod(cvec1(:nn), cmt2(:nn, iband2))
momentum(iband2, iband1, 2) = momentum(iband2, iband1, 2) + dotprod(cvec2(:nn), cmt2(:nn, iband2))
momentum(iband2, iband1, 3) = momentum(iband2, iband1, 3) + dotprod(cvec3(:nn), cmt2(:nn, iband2))
momentum(iband2, iband1, 1) = momentum(iband2, iband1, 1) + dot_product(cvec1(:nn), cmt2(:nn, iband2))
momentum(iband2, iband1, 2) = momentum(iband2, iband1, 2) + dot_product(cvec2(:nn), cmt2(:nn, iband2))
momentum(iband2, iband1, 3) = momentum(iband2, iband1, 3) + dot_product(cvec3(:nn), cmt2(:nn, iband2))
END DO ! iband2
END DO ! iband1
......@@ -1002,9 +1002,9 @@ MODULE m_kp_perturbation
vec2_r = matvec(olap_r, z%data_r(:lapw%nv(jsp), iband2)*qg(:, 2))
vec3_r = matvec(olap_r, z%data_r(:lapw%nv(jsp), iband2)*qg(:, 3))
DO iband1 = bandi1, bandf1
momentum(iband2, iband1, 1) = momentum(iband2, iband1, 1) + dotprod(z%data_r(:lapw%nv(jsp), iband1), vec1_r)
momentum(iband2, iband1, 2) = momentum(iband2, iband1, 2) + dotprod(z%data_r(:lapw%nv(jsp), iband1), vec2_r)
momentum(iband2, iband1, 3) = momentum(iband2, iband1, 3) + dotprod(z%data_r(:lapw%nv(jsp), iband1), vec3_r)
momentum(iband2, iband1, 1) = momentum(iband2, iband1, 1) + dot_product(z%data_r(:lapw%nv(jsp), iband1), vec1_r)
momentum(iband2, iband1, 2) = momentum(iband2, iband1, 2) + dot_product(z%data_r(:lapw%nv(jsp), iband1), vec2_r)
momentum(iband2, iband1, 3) = momentum(iband2, iband1, 3) + dot_product(z%data_r(:lapw%nv(jsp), iband1), vec3_r)
END DO
END DO
else
......@@ -1013,9 +1013,9 @@ MODULE m_kp_perturbation
vec2_c = matvec(olap_c, z%data_c(:lapw%nv(jsp), iband2)*qg(:, 2))
vec3_c = matvec(olap_c, z%data_c(:lapw%nv(jsp), iband2)*qg(:, 3))
DO iband1 = bandi1, bandf1
momentum(iband2, iband1, 1) = momentum(iband2, iband1, 1) + dotprod(z%data_c(:lapw%nv(jsp), iband1), vec1_c)
momentum(iband2, iband1, 2) = momentum(iband2, iband1, 2) + dotprod(z%data_c(:lapw%nv(jsp), iband1), vec2_c)
momentum(iband2, iband1, 3) = momentum(iband2, iband1, 3) + dotprod(z%data_c(:lapw%nv(jsp), iband1), vec3_c)
momentum(iband2, iband1, 1) = momentum(iband2, iband1, 1) + dot_product(z%data_c(:lapw%nv(jsp), iband1), vec1_c)
momentum(iband2, iband1, 2) = momentum(iband2, iband1, 2) + dot_product(z%data_c(:lapw%nv(jsp), iband1), vec2_c)
momentum(iband2, iband1, 3) = momentum(iband2, iband1, 3) + dot_product(z%data_c(:lapw%nv(jsp), iband1), vec3_c)
END DO
END DO
end if
......
......@@ -245,8 +245,8 @@ CONTAINS
! CALL dgemv('N',ngpt1,ngpt2,1.0,olappw,ngpt1,real(cpw2),1,0.0,rarr1,1)
! CALL dgemv('N',ngpt1,ngpt2,1.0,olappw,ngpt1,aimag(cpw2),1,0.0,rarr2,1)
!
! rdum1 = dotprod(cpw1,rarr1)
! rdum2 = dotprod(cpw1,rarr2)
! rdum1 = dot_product(cpw1,rarr1)
! rdum2 = dot_product(cpw1,rarr2)
! cdum = cmplx( rdum1, rdum2 )
! wfolap = wfolap + cdum
......@@ -299,8 +299,8 @@ CONTAINS
! CALL dgemv('N',ngpt1,ngpt2,1.0,olappw,ngpt1,real(cpw2),1,0.0,rarr1,1)
! CALL dgemv('N',ngpt1,ngpt2,1.0,olappw,ngpt1,aimag(cpw2),1,0.0,rarr2,1)
!
! rdum1 = dotprod(cpw1,rarr1)
! rdum2 = dotprod(cpw1,rarr2)
! rdum1 = dot_product(cpw1,rarr1)
! rdum2 = dot_product(cpw1,rarr2)
! cdum = cmplx( rdum1, rdum2 )
! wfolap = wfolap + cdum
......
......@@ -148,7 +148,7 @@ MODULE m_spmvec
indx2 = indx2 + 1
indx3 = indx3 + n - 1
vecout(indx1) = vecout(indx1) + dotprod(coulomb_mt2(:n - 1, m, l, iatom), vecinhlp(indx2:indx3))
vecout(indx1) = vecout(indx1) + dot_product(coulomb_mt2(:n - 1, m, l, iatom), vecinhlp(indx2:indx3))
indx2 = indx3
END DO
......@@ -165,7 +165,7 @@ MODULE m_spmvec
iatom = iatom + 1
indx1 = indx0 + 1
indx2 = indx1 + hybrid%nindxm1(0, itype) - 2
vecout(hybrid%nbasp + 1) = vecout(hybrid%nbasp + 1) + dotprod(coulomb_mt2(:hybrid%nindxm1(0, itype) - 1, 0, hybrid%maxlcutm1 + 1, iatom), vecinhlp(indx1:indx2))
vecout(hybrid%nbasp + 1) = vecout(hybrid%nbasp + 1) + dot_product(coulomb_mt2(:hybrid%nindxm1(0, itype) - 1, 0, hybrid%maxlcutm1 + 1, iatom), vecinhlp(indx1:indx2))
indx0 = indx0 + ishift
END DO
......@@ -190,7 +190,7 @@ MODULE m_spmvec
indx3 = indx2 + (ieq1 - 1)*ishift1 + 1
indx4 = indx3 + hybrid%nindxm1(0, itype1) - 2
vecout(indx1) = vecout(indx1) + dotprod(coulomb_mt3(:hybrid%nindxm1(0, itype1) - 1, iatom, iatom1), vecinhlp(indx3:indx4))
vecout(indx1) = vecout(indx1) + dot_product(coulomb_mt3(:hybrid%nindxm1(0, itype1) - 1, iatom, iatom1), vecinhlp(indx3:indx4))
END DO
indx2 = indx2 + atoms%neq(itype1)*ishift1
......@@ -356,7 +356,7 @@ MODULE m_spmvec
indx2 = indx2 + 1
indx3 = indx3 + n - 1
vecout(indx1) = vecout(indx1) + dotprod(coulomb_mt2(:n - 1, m, l, iatom), vecinhlp(indx2:indx3))
vecout(indx1) = vecout(indx1) + dot_product(coulomb_mt2(:n - 1, m, l, iatom), vecinhlp(indx2:indx3))
indx2 = indx3
END DO
......@@ -373,7 +373,7 @@ MODULE m_spmvec
iatom = iatom + 1
indx1 = indx0 + 1
indx2 = indx1 + hybrid%nindxm1(0, itype) - 2
vecout(hybrid%nbasp + 1) = vecout(hybrid%nbasp + 1) + dotprod(coulomb_mt2(:hybrid%nindxm1(0, itype) - 1, 0, hybrid%maxlcutm1 + 1, iatom), vecinhlp(indx1:indx2))
vecout(hybrid%nbasp + 1) = vecout(hybrid%nbasp + 1) + dot_product(coulomb_mt2(:hybrid%nindxm1(0, itype) - 1, 0, hybrid%maxlcutm1 + 1, iatom), vecinhlp(indx1:indx2))
indx0 = indx0 + ishift
END DO
......@@ -398,7 +398,7 @@ MODULE m_spmvec
indx3 = indx2 + (ieq1 - 1)*ishift1 + 1
indx4 = indx3 + hybrid%nindxm1(0, itype1) - 2
vecout(indx1) = vecout(indx1) + dotprod(coulomb_mt3(:hybrid%nindxm1(0, itype1) - 1, iatom, iatom1), vecinhlp(indx3:indx4))
vecout(indx1) = vecout(indx1) + dot_product(coulomb_mt3(:hybrid%nindxm1(0, itype1) - 1, iatom, iatom1), vecinhlp(indx3:indx4))
END DO
indx2 = indx2 + atoms%neq(itype1)*ishift1
......
......@@ -253,7 +253,7 @@ CONTAINS
DO i = 1, j
ic = ic + 1
vxc(ic) = vxc(ic) + carr1(i, j)
! vxc(ic) = vxc(ic) + conjg(dotprod ( bascof(i,:nnbas,iatom),carr(:nnbas) ))
! vxc(ic) = vxc(ic) + conjg(dot_product ( bascof(i,:nnbas,iatom),carr(:nnbas) ))
END DO
END DO
END DO
......
......@@ -91,7 +91,7 @@ CONTAINS
iatom1 = hybrid%map(iatom, iop)
tau1 = hybrid%tvec(:, iatom, iop)
cdum = exp(tpiimg*dotprod(rkpt, tau1))
cdum = exp(tpiimg*dot_product(rkpt, tau1))
lm0 = 0
DO l = 0, atoms%lmax(itype)
......@@ -136,7 +136,7 @@ CONTAINS
IF (igpt1 == 0) THEN
STOP 'wavetrafo_symm: rotated G vector not found'
END IF
cdum = exp(tpiimg*dotprod(rkpt + lapw%gvec(:, igpt, jsp), trans(:)))
cdum = exp(tpiimg*dot_product(rkpt + lapw%gvec(:, igpt, jsp), trans(:)))
if (l_real) THEN
z_out(igpt, 1:ndb) = cdum*z_r(igpt1, bandi:bandi + ndb - 1)
else
......@@ -238,7 +238,7 @@ CONTAINS
iatom1 = hybrid%map(iatom, iop)
tau1 = hybrid%tvec(:, iatom, iop)
cdum = exp(tpiimg*dotprod(rkpt, tau1))
cdum = exp(tpiimg*dot_product(rkpt, tau1))
lm0 = 0
DO l = 0, atoms%lmax(itype)
......@@ -282,7 +282,7 @@ CONTAINS
END IF
END DO
IF (igpt1 == 0) CYCLE
cdum = exp(tpiimg*dotprod(rkpt + (/lapw_rkpt%k1(igpt, jsp), lapw_rkpt%k2(igpt, jsp), lapw_rkpt%k3(igpt, jsp)/), trans))
cdum = exp(tpiimg*dot_product(rkpt + (/lapw_rkpt%k1(igpt, jsp), lapw_rkpt%k2(igpt, jsp), lapw_rkpt%k3(igpt, jsp)/), trans))
if (l_real) THEN
zhlp(igpt, :nbands) = cdum*z_r(igpt1, :nbands)
else
......
......@@ -389,7 +389,7 @@ CONTAINS
lm1 = lm + (iatom1 - 1 - iiatom)*ioffset
lm2 = lm + (iatom2 - 1 - iiatom)*ioffset + ishift
rdum = tpi_const*dotprod(kpts%bkf(:, iq), atoms%taual(:, iatom1))
rdum = tpi_const*dot_product(kpts%bkf(:, iq), atoms%taual(:, iatom1))
rfac1 = sin(rdum)/sr2
rfac2 = cos(rdum)/sr2
DO iband = bandi, bandf
......
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