Classes | |
| struct | ecoul_1center_type |
| struct | hartree_local_type |
Functions | |
| subroutine, public | allocate_ecoul_1center (ecoul_1c, natom, error) |
| subroutine | deallocate_ecoul_1center (ecoul_1c, error) |
| subroutine, public | get_ecoul_1c (ecoul_1c, iatom, Vh1_h, Vh1_s) |
| subroutine, public | get_hartree_local (hartree_local, ecoul_1c) |
| subroutine, public | hartree_local_create (hartree_local, error) |
| subroutine, public | hartree_local_release (hartree_local, error) |
| subroutine, public | set_ecoul_1c (ecoul_1c, iatom, ecoul_1_h, ecoul_1_s, ecoul_1_z, ecoul_1_0) |
| subroutine, public | set_hartree_local (hartree_local, ecoul_1c) |
Variables | |
| CHARACTER(len=*), parameter, private | moduleN = 'hartree_local_types' |
Function Documentation
| subroutine,public hartree_local_types::allocate_ecoul_1center | ( | TYPE(ecoul_1center_type),dimension(:),pointer | ecoul_1c, |
| INTEGER,intent(in) | natom, | ||
| TYPE(cp_error_type),intent(inout) | error | ||
| ) |
Definition at line 49 of file hartree_local_types.f90.
References deallocate_ecoul_1center().
Referenced by hartree_local_methods::init_coulomb_local().
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| subroutine hartree_local_types::deallocate_ecoul_1center | ( | TYPE(ecoul_1center_type),dimension(:),pointer | ecoul_1c, |
| TYPE(cp_error_type),intent(inout) | error | ||
| ) | [private] |
Definition at line 81 of file hartree_local_types.f90.
References CPPostcondition.
Referenced by allocate_ecoul_1center(), and hartree_local_release().
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| subroutine,public hartree_local_types::get_ecoul_1c | ( | TYPE(ecoul_1center_type),dimension(:),pointer | ecoul_1c, |
| INTEGER,intent(in),optional | iatom, | ||
| REAL(dp),dimension(:, :),optional,pointer | Vh1_h, | ||
| REAL(dp),dimension(:, :),optional,pointer | Vh1_s | ||
| ) |
Definition at line 118 of file hartree_local_types.f90.
| subroutine,public hartree_local_types::get_hartree_local | ( | TYPE(hartree_local_type),pointer | hartree_local, |
| TYPE(ecoul_1center_type),dimension(:),optional,pointer | ecoul_1c | ||
| ) |
Definition at line 134 of file hartree_local_types.f90.
| subroutine,public hartree_local_types::hartree_local_create | ( | TYPE(hartree_local_type),pointer | hartree_local, |
| TYPE(cp_error_type),intent(inout) | error | ||
| ) |
Definition at line 148 of file hartree_local_types.f90.
References CPPostcondition.
Referenced by qs_p_env_methods::p_env_create().
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| subroutine,public hartree_local_types::hartree_local_release | ( | TYPE(hartree_local_type),pointer | hartree_local, |
| TYPE(cp_error_type),intent(inout) | error | ||
| ) |
Definition at line 169 of file hartree_local_types.f90.
References CPPostconditionNoFail, and deallocate_ecoul_1center().
Referenced by qs_p_env_types::p_env_release().
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| subroutine,public hartree_local_types::set_ecoul_1c | ( | TYPE(ecoul_1center_type),dimension(:),pointer | ecoul_1c, |
| INTEGER,intent(in),optional | iatom, | ||
| REAL(dp),intent(in),optional | ecoul_1_h, | ||
| REAL(dp),intent(in),optional | ecoul_1_s, | ||
| REAL(dp),intent(in),optional | ecoul_1_z, | ||
| REAL(dp),intent(in),optional | ecoul_1_0 | ||
| ) |
Definition at line 191 of file hartree_local_types.f90.
| subroutine,public hartree_local_types::set_hartree_local | ( | TYPE(hartree_local_type),pointer | hartree_local, |
| TYPE(ecoul_1center_type),dimension(:),optional,pointer | ecoul_1c | ||
| ) |
Definition at line 209 of file hartree_local_types.f90.
Variable Documentation
| CHARACTER(len=*),parameter,private hartree_local_types::moduleN = 'hartree_local_types' |
Definition at line 18 of file hartree_local_types.f90.
