Lines Matching defs:X
20 subroutine X(lda_u_apply)(this, d, mesh, psib, hpsib) subroutine
21 type(lda_u_t), intent(in) :: this
22 type(mesh_t), intent(in) :: mesh
23 type(wfs_elec_t), intent(in) :: psib
24 type(wfs_elec_t), intent(inout) :: hpsib
25 type(states_elec_dim_t), intent(in) :: d
27 integer :: ibatch, ios, imp, im, ispin, bind1, bind2, inn, ios2
146 subroutine X(update_occ_matrices)(this, namespace, mesh, st, lda_u_energy, phase) subroutine
167 this%X(n)(1:this%maxnorbs, 1:this%maxnorbs, 1:st%d%nspin, 1:this%norbsets) = R_TOTYPE(M_ZERO) argument
410 subroutine X(compute_dftu_energy)(this, energy, st) subroutine
429 … *abs(this%X(n)(im, imp, ispin, ios))**2/st%smear%el_per_state argument
480 subroutine X(lda_u_update_potential)(this, st) subroutine
492 this%X(V) = M_ZERO argument
538 subroutine X(compute_ACBNO_U)(this, ios, namespace) subroutine
539 type(lda_u_t), intent(inout) :: this
540 integer, intent(in) :: ios
541 type(namespace_t), intent(in) :: namespace
543 integer :: im, imp, impp, imppp, ispin1, ispin2, norbs
683 subroutine X(compute_ACBNO_U_restricted)(this) subroutine
704 numU = numU + R_REAL(this%X(n_alt)(im,imp,1,ios)*this%X(n_alt)(impp,imppp,1,ios)) & argument
755 subroutine X(compute_ACBNO_V)(this, ios) subroutine
756 type(lda_u_t), intent(inout) :: this
780 …numV = numV + R_REAL(this%X(n_alt)(im,im,ispin1,ios))*R_REAL(this%X(n_alt)(imp,imp,ispin2,ios2)) … argument
823 subroutine X(compute_ACBNO_V_restricted)(this) subroutine
845 numV = numV + (M_TWO*R_REAL(this%X(n_alt)(im,im,1,ios)*this%X(n_alt)(imp,imp,1,ios2)) & argument
868 subroutine X(compute_ACBNO_U_kanamori)(this, kanamori) subroutine
869 type(lda_u_t), intent(in) :: this
967 subroutine X(compute_ACBNO_U_kanamori_restricted)(this, kanamori) subroutine
968 type(lda_u_t), intent(in) :: this
1042 subroutine X(compute_coulomb_integrals) (this, namespace, mesh, der, psolver) subroutine
1058 PUSH_SUB(X(compute_coulomb_integrals)) argument
1162 subroutine X(compute_periodic_coulomb_integrals)(this, namespace, der, mc) subroutine
1180 PUSH_SUB(X(compute_periodic_coulomb_integrals)) argument
1265 subroutine X(lda_u_commute_r)(this, mesh, d, namespace, ik, psi, gpsi, has_phase) subroutine
1266 type(lda_u_t), intent(in) :: this
1267 type(mesh_t), intent(in) :: mesh
1268 type(states_elec_dim_t), intent(in) :: d
1269 type(namespace_t), intent(in) :: namespace
1545 subroutine X(lda_u_force)(this, namespace, mesh, st, iq, ndim, psib, grad_psib, force, phase) subroutine
1546 type(lda_u_t), intent(in) :: this
1547 type(namespace_t), intent(in) :: namespace
1548 type(mesh_t), intent(in) :: mesh
1572 PUSH_SUB(X(lda_u_force)) argument
1689 subroutine X(lda_u_set_occupations)(this, occ) subroutine
1695 PUSH_SUB(X(lda_u_set_occupations)) argument
1746 subroutine X(lda_u_get_occupations)(this, occ) subroutine
1752 PUSH_SUB(X(lda_u_get_occupations)) argument
1803 subroutine X(lda_u_allocate)(this, st) subroutine
1809 PUSH_SUB(X(lda_u_allocate)) argument