pele.distance._put_in_box_cpp

Module source

# distutils: language = C++ # cython: language_level=3str

pele.distance._put_in_box_cpp.put_atom_in_box()

Source

cpdef put_atom_in_box(np.ndarray[double] r, int ndim, method, np.ndarray[double] box, double shear=0.0):

Define the Python interface to the C++ distance implementation.

Parameters:

r[float]

Position of the particle

ndimint

Number of dimensions

methodDistance Enum

Distance measurement method / boundary conditions.

boxnp.array(float)

Box size

shearfloat, optional

Amount of shear (for Lees-Edwards distance measure)

pele.distance._put_in_box_cpp.put_in_box()

Source

cpdef put_in_box(np.ndarray[double] rs, int ndim, method, np.ndarray[double] box, double shear=0.0):

Define the Python interface to the C++ distance implementation.

Parameters:

rsnp.array[float]

Positions of all particles

ndimint

Number of dimensions

methodDistance Enum

Distance measurement method / boundary conditions.

boxnp.array[float]

Box size

shearfloat, optional

Amount of shear (for Lees-Edwards distance measure)