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misc.c
89 lines (80 loc) · 2.04 KB
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misc.c
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/*
* Copyright (C) 2013 Qiming Sun <osirpt.sun@gmail.com>
*
* basic functions
*/
#include <math.h>
#include <complex.h>
#include "cint_const.h"
void CINTdcmplx_re(const FINT n, double complex *z, const double *re)
{
FINT i;
for (i = 0; i < n; i++) {
z[i] = re[i] + 0 * _Complex_I;
}
}
void CINTdcmplx_im(const FINT n, double complex *z, const double *im)
{
FINT i;
for (i = 0; i < n; i++) {
z[i] = 0 + im[i] * _Complex_I;
}
}
void CINTdcmplx_pp(const FINT n, double complex *z,
const double *re, const double *im)
{
FINT i;
for (i = 0; i < n; i++) {
z[i] = re[i] + im[i] * _Complex_I;
}
}
void CINTdcmplx_pn(const FINT n, double complex *z,
const double *re, const double *im)
{
FINT i;
for (i = 0; i < n; i++) {
z[i] = re[i] - im[i] * _Complex_I;
}
}
void CINTdcmplx_np(const FINT n, double complex *z,
const double *re, const double *im)
{
FINT i;
for (i = 0; i < n; i++) {
z[i] = -re[i] + im[i] * _Complex_I;
}
}
void CINTdcmplx_nn(const FINT n, double complex *z,
const double *re, const double *im)
{
FINT i;
for (i = 0; i < n; i++) {
z[i] = -re[i] - im[i] * _Complex_I;
}
}
double CINTsquare_dist(const double *r1, const double *r2)
{
double r12[3];
r12[0] = r1[0] - r2[0];
r12[1] = r1[1] - r2[1];
r12[2] = r1[2] - r2[2];
return r12[0] * r12[0] + r12[1] * r12[1] + r12[2] * r12[2];
}
static FINT factorial(FINT n)
{
FINT i, fact = 1;
for (i = 1; i <= n; i++) {
fact *= i;
}
return fact;
}
double CINTgto_norm(FINT n, double a)
{
double nn = pow(2, (2*n+3)) * factorial(n+1) * pow((2*a), (n+1.5)) \
/ (factorial(2*n+2) * sqrt(M_PI));
return sqrt(nn);
}
double CINTgto_norm_(FINT *n, double *a)
{
return CINTgto_norm(*n, *a);
}