28 #ifndef _chemistry_qc_basis_fjt_h
29 #define _chemistry_qc_basis_fjt_h
31 #include <util/ref/ref.h>
44 virtual double *
values(
int J,
double T) =0;
47 #define TAYLOR_INTERPOLATION_ORDER 6
48 #define TAYLOR_INTERPOLATION_AND_RECURSION 0 // compute F_lmax(T) and then iterate down to F_0(T)? Else use interpolation only
51 static double relative_zero_;
53 static const int max_interp_order = 8;
55 Taylor_Fjt(
unsigned int jmax,
double accuracy);
58 double *
values(
int J,
double T);
78 ExpensiveMath(
int ifac,
int idf);
83 ExpensiveMath ExpMath_;
99 int ngtable()
const {
return maxj + 7; }
104 double *
values(
int J,
double T);
109 #endif // header guard
double * values(int J, double T)
Implements Fjt::values()
virtual double * values(int J, double T)=0
Computed F_j(T) for every 0 <= j <= J (total of J+1 doubles).
Evaluates the Boys function F_j(T)
Definition: fjt.h:36
Uses Taylor interpolation of up to 8-th order to compute the Boys function.
Definition: fjt.h:50
double * values(int J, double T)
implementation of Fjt::values()
The base class for all reference counted objects.
Definition: ref.h:192
"Old" intv3 code from Curt Computes F_j(T) using 6-th order Taylor interpolation
Definition: fjt.h:88
Contains all MPQC code up to version 3.
Definition: mpqcin.h:14
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