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49 lines
857 B
C
49 lines
857 B
C
#include <math.h>
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#include <stdio.h>
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double potential(double *r, const int l) {
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double pot;
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pot = 0.0;
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for (int i = 0; i < l; ++i) {
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pot += r[i] * r[i];
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}
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if (pot > 0.0) {
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return -1.0 / sqrt(pot);
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}
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return -1;
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}
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double psi(double a, double *r, const int l) {
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double psival, rnorm;
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psival = 0.0;
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rnorm = 0.0;
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for (int i = 0; i < l; ++i) {
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rnorm += r[i]*r[i];
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}
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rnorm = sqrt(rnorm);
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psival = exp(-a * rnorm);
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return psival;
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}
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double kinetic(double a, double *r, const int l) {
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double rnorm;
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for (int i = 0; i < l; ++i) {
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rnorm += r[i]*r[i];
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}
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rnorm = sqrt(rnorm);
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return a * (1 / rnorm - 0.5 * a);
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}
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double e_loc(double a, double *r, const int l) {
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return kinetic(a, r, l) + potential(r, l);
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}
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