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FLANG workaround (#4582)

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Juerg Hutter 2025-12-03 10:42:34 +01:00 • committed by GitHub
parent 6b2ed39932
commit cf6d138533
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1 changed files with 7 additions and 3 deletions
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10
src/negf_env_types.F
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@ -397,6 +397,7 @@ CONTAINS
INTEGER, DIMENSION(:, :, :), POINTER :: cell_to_index
LOGICAL :: do_kpoints
TYPE(cp_fm_struct_type), POINTER :: fm_struct
TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matkp
TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: matrix_ks_kp, matrix_s_kp, rho_ao_kp
TYPE(dft_control_type), POINTER :: dft_control
TYPE(kpoint_type), POINTER :: kpoints
@ -473,28 +474,31 @@ CONTAINS
CALL cp_fm_struct_release(fm_struct)
! extract matrices: s_00, s_01
matkp => matrix_s_kp(1, :)
CALL negf_copy_contact_matrix(fm_cell0=contact_env%s_00, &
fm_cell1=contact_env%s_01, &
direction_axis=contact_env%direction_axis, &
matrix_kp=matrix_s_kp(1, :), &
matrix_kp=matkp, &
atom_list0=atom_list0, atom_list1=atom_list1, &
subsys=subsys, mpi_comm_global=para_env, &
kpoints=kpoints)
! extract matrices: h_00, h_01, rho_00, rho_01
DO ispin = 1, nspins
matkp => matrix_ks_kp(ispin, :)
CALL negf_copy_contact_matrix(fm_cell0=contact_env%h_00(ispin), &
fm_cell1=contact_env%h_01(ispin), &
direction_axis=contact_env%direction_axis, &
matrix_kp=matrix_ks_kp(ispin, :), &
matrix_kp=matkp, &
atom_list0=atom_list0, atom_list1=atom_list1, &
subsys=subsys, mpi_comm_global=para_env, &
kpoints=kpoints)
matkp => rho_ao_kp(ispin, :)
CALL negf_copy_contact_matrix(fm_cell0=contact_env%rho_00(ispin), &
fm_cell1=contact_env%rho_01(ispin), &
direction_axis=contact_env%direction_axis, &
matrix_kp=rho_ao_kp(ispin, :), &
matrix_kp=matkp, &
atom_list0=atom_list0, atom_list1=atom_list1, &
subsys=subsys, mpi_comm_global=para_env, &
kpoints=kpoints)