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00037 #ifndef INTEGRALS_2EL_HEADER
00038 #define INTEGRALS_2EL_HEADER
00039
00040 #include "basisinfo.h"
00041
00042 namespace JK {
00043
00044 struct Params
00045 {
00046 int use_naive_fockmat_constr;
00047 ergo_real threshold_J;
00048 ergo_real threshold_K;
00049 ergo_real multipole_threshold_factor;
00050 int use_differential_density;
00051 int use_fmm;
00052 ergo_real fmm_box_size;
00053 int fmm_no_of_branches;
00054 ergo_real fmm_branch_splitter_extent_1;
00055 ergo_real fmm_branch_splitter_extent_2;
00056 ergo_real fmm_branch_splitter_extent_3;
00057 ergo_real fmm_branch_splitter_extent_4;
00058 ergo_real fmm_branch_splitter_extent_5;
00059 ergo_real exchange_box_size;
00060 int noOfThreads_J;
00061 int noOfThreads_K;
00062
00063 Params() : use_naive_fockmat_constr(0),
00064 threshold_J(1e-12),
00065 threshold_K(1e-12),
00066 multipole_threshold_factor(1),
00067 use_differential_density(0),
00068 use_fmm(1),
00069 fmm_box_size(5.0),
00070 fmm_no_of_branches(0),
00071 fmm_branch_splitter_extent_1(0),
00072 fmm_branch_splitter_extent_2(0),
00073 fmm_branch_splitter_extent_3(0),
00074 fmm_branch_splitter_extent_4(0),
00075 fmm_branch_splitter_extent_5(0),
00076 exchange_box_size(5.0),
00077 noOfThreads_J(1),
00078 noOfThreads_K(1)
00079 {}
00080
00081 };
00082
00083 }
00084
00085 #endif