(git:c5411e0)
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Data Fields | |
type(cp_fm_type), pointer | mo_coeff => NULL() |
type(dbcsr_type), pointer | mo_coeff_b => NULL() |
logical | use_mo_coeff_b = .FALSE. |
integer | nmo = -1 |
integer | nao = -1 |
real(kind=dp), dimension(:), pointer | eigenvalues => NULL() |
real(kind=dp), dimension(:), pointer | occupation_numbers => NULL() |
real(kind=dp) | maxocc = -1 |
integer | nelectron = -1 |
real(kind=dp) | n_el_f = -1.0_dp |
integer | homo = -1 |
integer | lfomo = -1 |
logical | uniform_occupation = .FALSE. |
real(kind=dp) | kts = -1.0_dp |
real(kind=dp) | mu = 0.0_dp |
real(kind=dp) | flexible_electron_count = -1.0_dp |
Definition at line 46 of file qs_mo_types.F.
type(cp_fm_type), pointer qs_mo_types::mo_set_type::mo_coeff => NULL() |
Definition at line 48 of file qs_mo_types.F.
type(dbcsr_type), pointer qs_mo_types::mo_set_type::mo_coeff_b => NULL() |
Definition at line 49 of file qs_mo_types.F.
logical qs_mo_types::mo_set_type::use_mo_coeff_b = .FALSE. |
Definition at line 51 of file qs_mo_types.F.
integer qs_mo_types::mo_set_type::nmo = -1 |
Definition at line 53 of file qs_mo_types.F.
integer qs_mo_types::mo_set_type::nao = -1 |
Definition at line 55 of file qs_mo_types.F.
real(kind=dp), dimension(:), pointer qs_mo_types::mo_set_type::eigenvalues => NULL() |
Definition at line 57 of file qs_mo_types.F.
real(kind=dp), dimension(:), pointer qs_mo_types::mo_set_type::occupation_numbers => NULL() |
Definition at line 57 of file qs_mo_types.F.
real(kind=dp) qs_mo_types::mo_set_type::maxocc = -1 |
Definition at line 61 of file qs_mo_types.F.
integer qs_mo_types::mo_set_type::nelectron = -1 |
Definition at line 63 of file qs_mo_types.F.
real(kind=dp) qs_mo_types::mo_set_type::n_el_f = -1.0_dp |
Definition at line 64 of file qs_mo_types.F.
integer qs_mo_types::mo_set_type::homo = -1 |
Definition at line 66 of file qs_mo_types.F.
integer qs_mo_types::mo_set_type::lfomo = -1 |
Definition at line 68 of file qs_mo_types.F.
logical qs_mo_types::mo_set_type::uniform_occupation = .FALSE. |
Definition at line 72 of file qs_mo_types.F.
real(kind=dp) qs_mo_types::mo_set_type::kts = -1.0_dp |
Definition at line 74 of file qs_mo_types.F.
real(kind=dp) qs_mo_types::mo_set_type::mu = 0.0_dp |
Definition at line 76 of file qs_mo_types.F.
real(kind=dp) qs_mo_types::mo_set_type::flexible_electron_count = -1.0_dp |
Definition at line 78 of file qs_mo_types.F.