H A D | elecconstraints.F90 | 26 subroutine constrainQ(shift, qIn, orb, species, conAt, conSh, Qtarget, V) argument 32 real(dp), intent(in) :: qIn(:,:,:) local 55 Qshell = sum(qIn(orb%posShell(conSh,species(conAt)):orb%posShell(conSh+1,species(conAt))-1, & 67 subroutine constrainS(shift, qIn, orb, species, conAt, conSh, Starget, V, vec) argument 73 real(dp), intent(in) :: qIn(:,:,:) local 103 Sshell = sum(qIn(orb%posShell(conSh,species(conAt)):orb%posShell(conSh+1,species(conAt))-1, & 218 subroutine constrainJ(shift, qIn, iShift, qBlockSkew, orb, species, conAt, conSh, Jtarget, V, & argument 223 real(dp), intent(in) :: qIn(:,:,:) local 298 Sshell = sum(qIn(orb%posShell(conSh,species(conAt)): & 336 real(dp), intent(in) :: qIn(:,:,:) local [all …]
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