From 087f44384c290d02586406767588268d9567eab2 Mon Sep 17 00:00:00 2001
From: Ruocheng Han <ruocheng.han@chem.uzh.ch>
Date: Fri, 21 May 2021 09:28:18 +0000
Subject: [PATCH] Update codes/prep/rho_Becke_grid.py
---
codes/prep/rho_Becke_grid.py | 7 -------
1 file changed, 7 deletions(-)
diff --git a/codes/prep/rho_Becke_grid.py b/codes/prep/rho_Becke_grid.py
index 16c4449..21f390a 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))
--
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