#ifndef interaction_h #define interaction_h #include #include "structmember.h" // XXX #define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION #include #include #include /* * This is a quite generic force function mapping a * distance to the magnitude of a force. The coefficients * are an array of length 19 and the force function * is given as: * * (c0 + c1*r + c2*r^2 + ... + c6*r^6) * c7 * exp(c8*(r - c9)) * + c10 * exp(c11 * (r - c12)) * + c13 * exp(c14 * (r - c15)^2) * + c16 * exp(c17 * (r - c18)^2) * */ static float interaction_force_function ( float r , float * coefficients); static void interaction_ufunc_float2D ( char ** args , npy_intp * dimensions , npy_intp * steps , void * data); static void interaction_ufunc_force ( char ** args , npy_intp * dimensions , npy_intp * steps , void ** data); #endif