Psi4
Functions
solidharmonics.cc File Reference
#include <cstdlib>
#include <cstring>
#include <cmath>
#include <stdint.h>
#include "matrix.h"
#include "integral.h"

Functions

uint64_t binomial (int n, int c1)
 
uint64_t fact (int n)
 
uint64_t factoverfact (int nnum, int nden)
 
uint64_t factfact (int n)
 
void reduce (uint64_t &num, uint64_t &den)
 
uint64_t powll (uint64_t n, size_t p)
 
static int npure (int l)
 
static int icart (int a, int b, int c)
 
static int ipure (int, int m)
 
void solidharmcontrib (int sign, const uint64_t &bin, const uint64_t &den, uint64_t norm2num, uint64_t norm2den, int r2, int x, int y, int z, Matrix &coefmat, int pureindex)
 
void solidharm (size_t l, int m, size_t r2, Matrix &coefmat)
 
void solidharmonic (int l, Matrix &coefmat)
 

Function Documentation

uint64_t binomial ( int  n,
int  c1 
)
uint64_t fact ( int  n)
uint64_t factfact ( int  n)
uint64_t factoverfact ( int  nnum,
int  nden 
)
static int icart ( int  a,
int  b,
int  c 
)
inlinestatic
static int ipure ( int  ,
int  m 
)
inlinestatic
static int npure ( int  l)
inlinestatic
uint64_t powll ( uint64_t  n,
size_t  p 
)
void reduce ( uint64_t &  num,
uint64_t &  den 
)
void solidharm ( size_t  l,
int  m,
size_t  r2,
Matrix coefmat 
)
void solidharmcontrib ( int  sign,
const uint64_t &  bin,
const uint64_t &  den,
uint64_t  norm2num,
uint64_t  norm2den,
int  r2,
int  x,
int  y,
int  z,
Matrix coefmat,
int  pureindex 
)
void solidharmonic ( int  l,
Matrix coefmat 
)