Psi4
Classes | Namespaces | Macros
fjt.h File Reference

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Classes

class  psi::Fjt
 Evaluates the Boys function F_j(T) More...
 
class  psi::Taylor_Fjt
 Uses Taylor interpolation of up to 8-th order to compute the Boys function. More...
 
class  psi::FJT
 
class  psi::GaussianFundamental
 
class  psi::F12Fundamental
 
class  psi::F12ScaledFundamental
 
class  psi::F12SquaredFundamental
 
class  psi::F12G12Fundamental
 
class  psi::F12DoubleCommutatorFundamental
 
class  psi::ErfFundamental
 
class  psi::ErfComplementFundamental
 

Namespaces

 psi
 Rotate a set of vectors around an arbitrary axis Vectors are rows of input matrix.
 

Macros

#define TAYLOR_INTERPOLATION_ORDER   6
 
#define TAYLOR_INTERPOLATION_AND_RECURSION   0
 

Macro Definition Documentation

#define TAYLOR_INTERPOLATION_AND_RECURSION   0
#define TAYLOR_INTERPOLATION_ORDER   6