Potgen Interface

Auto Generated Documentation for potgen.py

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potgen.fangang(m1, m2, q1range, q2range, pts1, pts2)

Minimization function for two angular coordinates

potgen.frang(c, m1, m2, q2range, pts1, pts2)

Minimization function for a radial and an angular coordinate

potgen.frr(c, m1, m2, pts1, pts2)

Minimization function for 2 radial coordinates

potgen.massweightequal(dq1, m1, dq2, m2, printerrors=False)

Function that takes the spacings of coordinates, their reduced masses, and returns True/False if they are equivalent to 1e-7.

Args:

  dq1 (float): spacing of first dimension in a.u.
  m1 (float): mass in a.u. of first dimension
  dq1 (float): spacing of second dimension in a.u.
  m2 (float): mass in a.u. of the second dimension
  printerrors(bool): If true, verbosely print when unequal

Returns:

  bool: True if equal, False otherwise.

class potgen.q(maxval=0, minval=0, coordtype=0, mass=0, numpoints=0)

Coordinate class

equivalencemwcoords(q_other, forcegrid=False, innerbound=True, autoselect=False, mingrid=False, startlow=False, uselowest=False)

  set the spacing of the two grids to be equal

interactive_start()

  Interactive coordinate generation

setgrid()

  setup the grid

potgen.silentmweq(inpcoord=[], mingrid=False, uselowest=False)

symmetry equivalence coords Input list of coordinates nested in each list is [maxval,minval,coordtype (0,1,2) for (r,theta,phi), number of points] returns the same list in a list for the coordinates