diff --git a/src/start/libcp2k.F b/src/start/libcp2k.F index 43421746a1..85f39e3c5a 100755 --- a/src/start/libcp2k.F +++ b/src/start/libcp2k.F @@ -49,6 +49,17 @@ MODULE libcp2k PRIVATE + PUBLIC :: cp2k_get_version, cp2k_init, cp2k_init_without_mpi, cp2k_init_without_mpi_comm, & + cp2k_finalize, cp2k_finalize_without_mpi, cp2k_create_force_env, & + cp2k_create_force_env_comm, cp2k_destroy_force_env, cp2k_set_positions, & + cp2k_set_velocities, cp2k_set_cell, cp2k_get_result, cp2k_get_natom, & + cp2k_get_nparticle, cp2k_get_positions, cp2k_get_forces, & + cp2k_get_potential_energy, cp2k_get_cell, cp2k_get_qmmm_cell, & + cp2k_calc_energy_force, cp2k_calc_energy, cp2k_run_input, cp2k_run_input_comm, & + cp2k_transport_set_callback, cp2k_active_space_get_mo_count, & + cp2k_active_space_get_fock_sub, cp2k_active_space_get_eri_nze_count, & + cp2k_active_space_get_eri + TYPE, EXTENDS(eri_type_eri_element_func) :: eri2array INTEGER(C_INT), POINTER :: coords(:) => NULL() REAL(C_DOUBLE), POINTER :: values(:) => NULL()