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potentials work

This commit is contained in:
Daniel Knüttel 2019-07-15 22:27:12 +02:00
parent d2336cded2
commit 5a6e039e28
1 changed files with 12 additions and 9 deletions
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21
c/interaction/interaction.c
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@ -13,19 +13,22 @@ interaction_force_function
{
float result = 0;
int i;
result = coefficients[0];
result = coefficients[0] * coefficients[8];
for(i = 1; i < 7; i++)
{
result += coefficients[i] * (powf(r, i - 1) + coefficients[8]*powf(r, i));
result += coefficients[i] * (powf(r, i - 1) / i + coefficients[8]*powf(r, i));
}
result *= coefficients[7] * expf(coefficients[8] * (r - coefficients[9]));
result += coefficients[10] * coefficients[11] * expf(coefficients[11] * (r - coefficients[12]));
result += coefficients[10] * coefficients[11]
* expf(coefficients[11] * (r - coefficients[12]));
result += coefficients[13]
* 2 * (r - coefficients[15])
* coefficients[14] * expf(coefficients[14] * raise2(r - coefficients[15]));
* coefficients[14]
* expf(coefficients[14] * raise2(r - coefficients[15]));
result += coefficients[16]
* 2 * (r - coefficients[18])
* coefficients[17] * expf(coefficients[17] * raise2(r - coefficients[18]));
* coefficients[17]
* expf(coefficients[17] * raise2(r - coefficients[18]));
return result;
}
static float
@ -193,10 +196,10 @@ interaction_ufunc_float2D
}
#endif
//printf("%d, %d: %f, %f\n", i, j, delta_p_x, delta_p_y);
*(float *)(p_x_new + i*p_x_new_steps) += dt*delta_p_x;
*(float *)(p_y_new + i*p_y_new_steps) += dt*delta_p_y;
*(float *)(p_x_new + j*p_x_new_steps) -= dt*delta_p_x;
*(float *)(p_y_new + j*p_y_new_steps) -= dt*delta_p_y;
*(float *)(p_x_new + i*p_x_new_steps) -= dt*delta_p_x;
*(float *)(p_y_new + i*p_y_new_steps) -= dt*delta_p_y;
*(float *)(p_x_new + j*p_x_new_steps) += dt*delta_p_x;
*(float *)(p_y_new + j*p_y_new_steps) += dt*delta_p_y;
}
}
//NPY_END_THREADS;