pele.potentials._hs_wca_cpp#
# distutils: language = C++ # cython: language_level=3str
- class pele.potentials._hs_wca_cpp.HS_WCA
-
cdef class HS_WCA(_pele.PairwisePotentialInterface):Define the python interface to the c++ HS_WCA implementation.
- Parameters:
- epsfloat
wca parameter
- scafloat
the thickness of the wca shell is sca * R where R is the hard core radius of the sphere
- radiiarray
list of radii of the particles
- ndiminteger
Euclidean dimension of simulation box
- boxvecarray
Box vector
- boxlfloat
In case the box is a cube, the cube length can be given as boxl instead of providing boxvec
- distance_methodDistance Enum
Distance measurement method / boundary conditions. Default: Cartesian
- pot_kwargsdictionary, optional
Dictionary containing information used by the potential (e.g. shear for Lees-Edwards boundary conditions, exponent of the potential, flag determining if OpenMP subdomain sizes should be balanced by increasing the cell size)
- use_frozenbool
Flag to switch on freezing of selected particles
- use_cell_listsbool
Flag to switch on usage of cell lists
- reference_coordsarray
Initial values of all coordinates, consisting of frozen and non-frozen dof
- frozen_atomsarray
List of labels of frozen (immobile) particles. Note: This is not the list of frozen degrees of freedom
- ncellx_scalefloat
Parameter controlling the cell list grid spacing: values larger than unity lead to finer cell meshing