diff --git a/codes/prep/rho_Becke_grid.py b/codes/prep/rho_Becke_grid.py index 16c44491e96a1471e7265584a24242edbf50536c..21f390a4ff14d7c90b07c7080e993074b141a961 100644 --- a/codes/prep/rho_Becke_grid.py +++ b/codes/prep/rho_Becke_grid.py @@ -3,7 +3,6 @@ import os import sys import h5py import itertools -import matplotlib.pyplot as plt from mpl_toolkits.mplot3d import Axes3D @@ -113,12 +112,6 @@ def calcu_prt(grid, num_grid, quant, pos_c, typ_c, exp_c): return prt_c, grdprt_c #, grd2prt_c -def plot3d(grid): - fig = plt.figure() - ax = plt.axes(projection='3d') - ax.scatter3D(grid[:,0], grid[:,1], grid[:,2]) - plt.show() - def sel_shell(unoccmo, hf_occ, num_orb, sel_orb, noe): if sel_orb == 'all': mat = np.ones((unoccmo))