# print( pos_cen_matrix[ 0, : ] )
length_HX = np.linalg.norm(HX)
Z_H = np.divide(HX, length_HX)
# Preshape Array
Z_H_flatten = Z_H.flatten()
print(np.linalg.norm(Z_H_flatten))
print(length)
print(length_HX)
# Set CM-Rep Abstract Point
cmrep_ij = manifolds.cmrep_abstract(nAtoms)
# Center
center_ij = manifolds.euclidean(3)
# print( "Center Of Mass " )
center_ij.SetPoint(cenOfMass)
# Scale
scale_ij = manifolds.pos_real(1)
# print( "Scale" )
scale_ij.SetPoint(length_HX)
# Abstract Position
pos_ij = manifolds.sphere(3 * (nAtoms - 1))
# print( pos_cen_matrix[ 0, : ] ) length_HX = np.linalg.norm( HX ) Z_H = np.divide( HX, length_HX ) # Preshape Array Z_H_flatten = Z_H.flatten() print( np.linalg.norm( Z_H_flatten ) ) print( length ) print( length_HX ) # Set CM-Rep Abstract Point cmrep_ij = manifolds.cmrep_abstract( nAtoms ) # Center center_ij = manifolds.euclidean( 3 ) # print( "Center Of Mass " ) center_ij.SetPoint( cenOfMass ) # Scale scale_ij = manifolds.pos_real( 1 ) # print( "Scale" ) scale_ij.SetPoint( length_HX ) # Abstract Position pos_ij = manifolds.sphere( 3 * ( nAtoms - 1 ) )