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