50 std::unique_ptr<ZrO_Clexulator>
clone()
const {
51 return std::unique_ptr<ZrO_Clexulator>(
_clone());
850 Clexulator_impl::Base(113, 74) {
4403 for(; ind_list_begin<ind_list_end; ind_list_begin++){
4417 for(; ind_list_begin<ind_list_end; ind_list_begin++){
4431 for(; ind_list_begin<ind_list_end; ind_list_begin++){
4432 *(corr_begin+*ind_list_begin) = (this->*
m_delta_func_lists[b_index][*ind_list_begin])(occ_i, occ_f);
double delta_site_eval_at_2_bfunc_3_28_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_3_20_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_3_35_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_1_0() const
double delta_site_eval_at_3_bfunc_3_16_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_4_9_0() const
double delta_site_eval_at_2_bfunc_3_9_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_4_7_0(int occ_i, int occ_f) const
double eval_bfunc_4_8_0() const
double delta_site_eval_at_3_bfunc_4_3_0(int occ_i, int occ_f) const
double(ZrO_Clexulator::* DeltaBasisFuncPtr)(int, int) const
double delta_site_eval_at_3_bfunc_2_7_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_30_0() const
double site_eval_at_2_bfunc_3_38_0() const
double delta_site_eval_at_2_bfunc_4_13_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_1_0_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_3_25_0() const
double site_eval_at_2_bfunc_4_12_0() const
double site_eval_at_2_bfunc_4_13_0() const
double site_eval_at_3_bfunc_2_10_0() const
double delta_site_eval_at_3_bfunc_2_4_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_3_10_0(int occ_i, int occ_f) const
double eval_bfunc_3_29_0() const
double site_eval_at_2_bfunc_3_4_0() const
double delta_site_eval_at_2_bfunc_3_21_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_3_35_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_4_0_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_3_0_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_3_1_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_3_27_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_4_9_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_3_31_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_2_4_0() const
double delta_site_eval_at_3_bfunc_3_38_0(int occ_i, int occ_f) const
BasisFuncPtr m_orbit_func_list[74]
double eval_bfunc_3_11_0() const
double site_eval_at_3_bfunc_3_34_0() const
double site_eval_at_3_bfunc_3_7_0() const
double site_eval_at_2_bfunc_3_1_0() const
std::vector< std::set< UnitCellCoord > > m_orbit_neighborhood
The UnitCellCoord involved in calculating the basis functions for a particular orbit, relative origin UnitCell.
double delta_site_eval_at_2_bfunc_3_34_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_3_14_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_16_0() const
double delta_site_eval_at_2_bfunc_3_30_0(int occ_i, int occ_f) const
double eval_bfunc_3_25_0() const
double delta_site_eval_at_3_bfunc_3_9_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_2_3_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_2_6_0(int occ_i, int occ_f) const
BasisFuncPtr m_flower_func_lists[4][74]
double eval_bfunc_3_31_0() const
double eval_bfunc_2_5_0() const
double site_eval_at_3_bfunc_3_21_0() const
double site_eval_at_3_bfunc_3_15_0() const
double eval_bfunc_3_5_0() const
double delta_site_eval_at_2_bfunc_2_0_0(int occ_i, int occ_f) const
double eval_bfunc_3_14_0() const
double delta_site_eval_at_2_bfunc_2_7_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_3_5_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_3_21_0() const
double delta_site_eval_at_2_bfunc_3_38_0(int occ_i, int occ_f) const
double eval_bfunc_4_11_0() const
double delta_site_eval_at_2_bfunc_3_24_0(int occ_i, int occ_f) const
double eval_bfunc_3_17_0() const
double delta_site_eval_at_3_bfunc_3_33_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_23_0() const
double site_eval_at_3_bfunc_3_33_0() const
double eval_bfunc_3_28_0() const
double delta_site_eval_at_2_bfunc_4_8_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_4_8_0() const
double site_eval_at_2_bfunc_4_2_0() const
double site_eval_at_3_bfunc_3_40_0() const
double delta_site_eval_at_2_bfunc_3_25_0(int occ_i, int occ_f) const
double eval_bfunc_3_12_0() const
double eval_bfunc_4_3_0() const
double site_eval_at_2_bfunc_2_9_0() const
double eval_bfunc_4_4_0() const
double delta_site_eval_at_2_bfunc_3_18_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_3_11_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_2_8_0(int occ_i, int occ_f) const
double eval_bfunc_4_6_0() const
double delta_site_eval_at_2_bfunc_3_11_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_41_0() const
double eval_bfunc_3_4_0() const
double delta_site_eval_at_3_bfunc_3_36_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_2_1_0() const
double site_eval_at_2_bfunc_3_41_0() const
double site_eval_at_2_bfunc_3_11_0() const
double delta_site_eval_at_3_bfunc_2_13_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_2_10_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_3_12_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_4_1_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_37_0() const
double delta_site_eval_at_3_bfunc_3_4_0(int occ_i, int occ_f) const
double eval_bfunc_3_3_0() const
double eval_bfunc_3_18_0() const
double eval_bfunc_3_30_0() const
const double & occ_func_3_0(const int &nlist_ind) const
double site_eval_at_3_bfunc_2_6_0() const
double eval_bfunc_3_39_0() const
double delta_site_eval_at_3_bfunc_4_6_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_3_19_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_1_0_0() const
double delta_site_eval_at_2_bfunc_3_12_0(int occ_i, int occ_f) const
double eval_bfunc_1_0_0() const
double delta_site_eval_at_3_bfunc_4_4_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_3_13_0(int occ_i, int occ_f) const
double eval_bfunc_3_22_0() const
double eval_bfunc_3_32_0() const
double site_eval_at_3_bfunc_3_9_0() const
double delta_site_eval_at_2_bfunc_2_9_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_2_11_0() const
double delta_site_eval_at_3_bfunc_2_1_0(int occ_i, int occ_f) const
double eval_bfunc_4_13_0() const
double eval_bfunc_3_26_0() const
double site_eval_at_3_bfunc_4_10_0() const
double site_eval_at_2_bfunc_3_18_0() const
double delta_site_eval_at_3_bfunc_3_15_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_12_0() const
double delta_site_eval_at_3_bfunc_3_30_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_3_30_0() const
double site_eval_at_2_bfunc_3_16_0() const
double eval_bfunc_2_13_0() const
double site_eval_at_2_bfunc_4_8_0() const
double delta_site_eval_at_2_bfunc_4_5_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_2_13_0() const
double delta_site_eval_at_2_bfunc_3_33_0(int occ_i, int occ_f) const
size_type corr_size() const
Number of correlations.
double delta_site_eval_at_3_bfunc_4_5_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_39_0() const
double site_eval_at_3_bfunc_3_18_0() const
double eval_bfunc_4_2_0() const
double delta_site_eval_at_2_bfunc_2_4_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_3_17_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_4_12_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_2_15_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_8_0() const
double site_eval_at_3_bfunc_3_19_0() const
double site_eval_at_2_bfunc_2_0_0() const
double delta_site_eval_at_3_bfunc_3_3_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_13_0() const
double eval_bfunc_2_14_0() const
double site_eval_at_3_bfunc_3_26_0() const
double delta_site_eval_at_2_bfunc_1_0_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_2_7_0() const
double site_eval_at_3_bfunc_3_6_0() const
double site_eval_at_2_bfunc_2_5_0() const
double delta_site_eval_at_2_bfunc_3_14_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_3_34_0() const
double delta_site_eval_at_3_bfunc_3_18_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_4_12_0() const
double delta_site_eval_at_3_bfunc_2_6_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_2_5_0(int occ_i, int occ_f) const
double eval_bfunc_3_19_0() const
double delta_site_eval_at_3_bfunc_3_21_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_2_15_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_4_7_0() const
double site_eval_at_3_bfunc_3_5_0() const
double delta_site_eval_at_3_bfunc_4_12_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_2_12_0() const
double eval_bfunc_3_41_0() const
double site_eval_at_2_bfunc_3_13_0() const
double delta_site_eval_at_2_bfunc_3_19_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_2_13_0() const
double eval_bfunc_3_0_0() const
double site_eval_at_2_bfunc_3_20_0() const
double delta_site_eval_at_3_bfunc_3_40_0(int occ_i, int occ_f) const
PrimNeighborList::Matrix3Type m_weight_matrix
The weight matrix used for ordering the neighbor list.
double site_eval_at_2_bfunc_3_9_0() const
double delta_site_eval_at_3_bfunc_4_8_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_2_8_0() const
double site_eval_at_2_bfunc_3_0_0() const
double delta_site_eval_at_3_bfunc_3_10_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_3_32_0(int occ_i, int occ_f) const
double eval_bfunc_3_38_0() const
double site_eval_at_3_bfunc_3_0_0() const
double delta_site_eval_at_3_bfunc_3_29_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_4_11_0() const
void calc_restricted_delta_point_corr(int b_index, int occ_i, int occ_f, double *corr_begin, size_type const *ind_list_begin, size_type const *ind_list_end) const override
Calculate the change in select point correlations due to changing an occupant.
double site_eval_at_2_bfunc_3_35_0() const
double eval_bfunc_2_0_0() const
double(ZrO_Clexulator::* BasisFuncPtr)() const
double delta_site_eval_at_2_bfunc_3_39_0(int occ_i, int occ_f) const
double eval_bfunc_3_15_0() const
CASM::Clexulator_impl::Base * make_ZrO_Clexulator()
Returns a Clexulator_impl::Base* owning a ZrO_Clexulator.
double eval_bfunc_2_8_0() const
double eval_bfunc_2_7_0() const
double site_eval_at_2_bfunc_4_10_0() const
virtual ZrO_Clexulator * _clone() const override
Clone the Clexulator.
void calc_restricted_global_corr_contribution(double *corr_begin, size_type const *ind_list_begin, size_type const *ind_list_end) const override
Calculate contribution to select global correlations from one unit cell.
double site_eval_at_2_bfunc_2_12_0() const
double site_eval_at_3_bfunc_3_24_0() const
double eval_bfunc_3_23_0() const
double delta_site_eval_at_3_bfunc_3_24_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_3_26_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_10_0() const
double delta_site_eval_at_2_bfunc_3_29_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_3_10_0() const
double site_eval_at_3_bfunc_4_7_0() const
double delta_site_eval_at_3_bfunc_3_13_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_2_14_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_3_39_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_3_36_0() const
double delta_site_eval_at_3_bfunc_4_7_0(int occ_i, int occ_f) const
DeltaBasisFuncPtr m_delta_func_lists[4][74]
double delta_site_eval_at_3_bfunc_2_12_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_3_37_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_2_12_0(int occ_i, int occ_f) const
double eval_bfunc_4_12_0() const
double delta_site_eval_at_3_bfunc_3_20_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_4_2_0() const
double site_eval_at_3_bfunc_2_4_0() const
double site_eval_at_3_bfunc_4_9_0() const
double site_eval_at_2_bfunc_4_11_0() const
double delta_site_eval_at_3_bfunc_3_25_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_2_15_0() const
double site_eval_at_3_bfunc_3_3_0() const
double delta_site_eval_at_2_bfunc_3_8_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_4_5_0() const
double delta_site_eval_at_3_bfunc_3_2_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_3_6_0() const
double delta_site_eval_at_2_bfunc_2_8_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_2_2_0() const
const long int * m_nlist_ptr
Pointer to neighbor list.
double delta_site_eval_at_2_bfunc_4_3_0(int occ_i, int occ_f) const
double eval_bfunc_4_0_0() const
double delta_site_eval_at_3_bfunc_3_8_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_3_37_0() const
double site_eval_at_3_bfunc_4_0_0() const
double delta_site_eval_at_2_bfunc_3_6_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_3_29_0() const
double site_eval_at_2_bfunc_3_19_0() const
double site_eval_at_2_bfunc_3_28_0() const
double delta_site_eval_at_2_bfunc_3_15_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_3_7_0() const
double delta_site_eval_at_3_bfunc_3_37_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_4_6_0(int occ_i, int occ_f) const
void calc_delta_point_corr(int b_index, int occ_i, int occ_f, double *corr_begin) const override
Calculate the change in point correlations due to changing an occupant.
double eval_bfunc_4_1_0() const
double eval_bfunc_4_5_0() const
double site_eval_at_2_bfunc_2_2_0() const
double delta_site_eval_at_2_bfunc_2_2_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_35_0() const
double site_eval_at_2_bfunc_3_12_0() const
double delta_site_eval_at_3_bfunc_3_41_0(int occ_i, int occ_f) const
double eval_bfunc_3_35_0() const
double eval_bfunc_2_11_0() const
double eval_bfunc_3_36_0() const
double site_eval_at_2_bfunc_2_11_0() const
double eval_bfunc_2_2_0() const
double site_eval_at_2_bfunc_3_5_0() const
double site_eval_at_3_bfunc_3_38_0() const
double delta_site_eval_at_3_bfunc_3_27_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_2_9_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_2_15_0() const
double site_eval_at_2_bfunc_3_8_0() const
double delta_site_eval_at_2_bfunc_2_1_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_3_31_0(int occ_i, int occ_f) const
double eval_bfunc_3_1_0() const
double eval_bfunc_3_27_0() const
double site_eval_at_2_bfunc_3_39_0() const
double eval_bfunc_4_9_0() const
double delta_site_eval_at_3_bfunc_2_0_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_4_1_0() const
double site_eval_at_2_bfunc_2_1_0() const
double eval_bfunc_3_13_0() const
double site_eval_at_3_bfunc_3_25_0() const
double site_eval_at_3_bfunc_3_22_0() const
double delta_site_eval_at_2_bfunc_2_13_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_31_0() const
double eval_bfunc_3_2_0() const
double site_eval_at_2_bfunc_4_6_0() const
double eval_bfunc_3_21_0() const
double eval_bfunc_3_16_0() const
double delta_site_eval_at_3_bfunc_3_1_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_3_7_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_2_9_0() const
void calc_point_corr(int b_index, double *corr_begin) const override
Calculate point correlations about basis site 'b_index'.
double delta_site_eval_at_3_bfunc_3_0_0(int occ_i, int occ_f) const
double eval_bfunc_2_12_0() const
double site_eval_at_2_bfunc_2_7_0() const
double site_eval_at_3_bfunc_4_13_0() const
double eval_bfunc_3_24_0() const
double delta_site_eval_at_3_bfunc_3_5_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_4_10_0(int occ_i, int occ_f) const
std::unique_ptr< ZrO_Clexulator > clone() const
Clone the ZrO_Clexulator.
double delta_site_eval_at_2_bfunc_4_11_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_3_26_0() const
double delta_site_eval_at_2_bfunc_3_4_0(int occ_i, int occ_f) const
const int * m_occ_ptr
Pointer to beginning of data structure containing occupation variables.
double delta_site_eval_at_3_bfunc_4_9_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_3_31_0() const
double delta_site_eval_at_2_bfunc_3_40_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_2_14_0() const
double site_eval_at_3_bfunc_3_29_0() const
double delta_site_eval_at_2_bfunc_4_1_0(int occ_i, int occ_f) const
double eval_bfunc_2_4_0() const
double eval_bfunc_0_0_0() const
double site_eval_at_3_bfunc_3_2_0() const
double site_eval_at_2_bfunc_3_23_0() const
double delta_site_eval_at_3_bfunc_4_13_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_27_0() const
double delta_site_eval_at_3_bfunc_4_0_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_20_0() const
double site_eval_at_2_bfunc_3_22_0() const
double delta_site_eval_at_3_bfunc_2_3_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_36_0() const
double eval_bfunc_2_15_0() const
double site_eval_at_2_bfunc_3_2_0() const
double delta_site_eval_at_2_bfunc_3_32_0(int occ_i, int occ_f) const
double zero_func(int, int) const
double site_eval_at_2_bfunc_3_14_0() const
double site_eval_at_2_bfunc_3_3_0() const
double site_eval_at_3_bfunc_2_3_0() const
double eval_bfunc_3_8_0() const
double delta_site_eval_at_3_bfunc_3_28_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_3_23_0(int occ_i, int occ_f) const
double eval_bfunc_3_33_0() const
double delta_site_eval_at_3_bfunc_3_6_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_3_17_0() const
double site_eval_at_2_bfunc_3_27_0() const
double site_eval_at_2_bfunc_4_1_0() const
double delta_site_eval_at_2_bfunc_3_36_0(int occ_i, int occ_f) const
double eval_bfunc_3_34_0() const
double delta_site_eval_at_2_bfunc_3_23_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_3_41_0(int occ_i, int occ_f) const
double eval_bfunc_2_6_0() const
double site_eval_at_3_bfunc_3_11_0() const
double delta_site_eval_at_2_bfunc_3_3_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_17_0() const
double site_eval_at_2_bfunc_4_3_0() const
double eval_bfunc_3_40_0() const
double site_eval_at_2_bfunc_3_33_0() const
double site_eval_at_3_bfunc_4_4_0() const
double site_eval_at_3_bfunc_2_0_0() const
double delta_site_eval_at_3_bfunc_4_2_0(int occ_i, int occ_f) const
void calc_restricted_point_corr(int b_index, double *corr_begin, size_type const *ind_list_begin, size_type const *ind_list_end) const override
Calculate select point correlations about basis site 'b_index'.
double site_eval_at_3_bfunc_1_0_0() const
double eval_bfunc_3_6_0() const
double site_eval_at_2_bfunc_2_10_0() const
double delta_site_eval_at_2_bfunc_3_22_0(int occ_i, int occ_f) const
const double & occ_func_2_0(const int &nlist_ind) const
double site_eval_at_2_bfunc_4_0_0() const
double delta_site_eval_at_3_bfunc_2_5_0(int occ_i, int occ_f) const
double eval_bfunc_4_10_0() const
double eval_bfunc_2_1_0() const
double eval_bfunc_3_37_0() const
double site_eval_at_2_bfunc_3_40_0() const
double site_eval_at_2_bfunc_3_24_0() const
double eval_bfunc_2_3_0() const
double site_eval_at_2_bfunc_2_8_0() const
double site_eval_at_3_bfunc_4_6_0() const
double site_eval_at_3_bfunc_2_5_0() const
double site_eval_at_3_bfunc_4_3_0() const
double site_eval_at_3_bfunc_3_28_0() const
Abstract base class for cluster expansion correlation calculations.
double eval_bfunc_2_10_0() const
double eval_bfunc_3_10_0() const
double site_eval_at_3_bfunc_3_4_0() const
double delta_site_eval_at_2_bfunc_3_16_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_3_2_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_3_22_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_4_2_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_4_5_0() const
double eval_bfunc_4_7_0() const
double delta_site_eval_at_2_bfunc_2_11_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_3_17_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_2_6_0() const
double delta_site_eval_at_3_bfunc_4_11_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_3_34_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_14_0() const
double site_eval_at_2_bfunc_4_4_0() const
double delta_site_eval_at_2_bfunc_2_10_0(int occ_i, int occ_f) const
double site_eval_at_3_bfunc_3_32_0() const
double delta_site_eval_at_3_bfunc_4_10_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_3_7_0(int occ_i, int occ_f) const
double delta_site_eval_at_2_bfunc_4_4_0(int occ_i, int occ_f) const
double eval_bfunc_3_20_0() const
double site_eval_at_2_bfunc_2_14_0() const
double eval_bfunc_3_7_0() const
double site_eval_at_2_bfunc_2_3_0() const
std::set< UnitCellCoord > m_neighborhood
The UnitCellCoord involved in calculating the basis functions, relative origin UnitCell.
double eval_bfunc_2_9_0() const
double delta_site_eval_at_3_bfunc_2_11_0(int occ_i, int occ_f) const
double delta_site_eval_at_3_bfunc_2_2_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_3_15_0() const
double delta_site_eval_at_2_bfunc_3_26_0(int occ_i, int occ_f) const
double site_eval_at_2_bfunc_3_32_0() const
double eval_bfunc_3_9_0() const
void calc_global_corr_contribution(double *corr_begin) const override
Calculate contribution to global correlations from one unit cell.
double delta_site_eval_at_3_bfunc_2_14_0(int occ_i, int occ_f) const