From 1fd9509608e390a9e43db1ae73adb171d4527b36 Mon Sep 17 00:00:00 2001
From: Sylvain Tricot <sylvain.tricot@univ-rennes1.fr>
Date: Tue, 8 Feb 2022 14:39:03 +0100
Subject: [PATCH] Added the malloc keyword.

In the stereo scan, the malloc keyword is now specified.
---
 doc/source/tutorials/RhO/RhO.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/doc/source/tutorials/RhO/RhO.py b/doc/source/tutorials/RhO/RhO.py
index 90c8e46..0817b27 100644
--- a/doc/source/tutorials/RhO/RhO.py
+++ b/doc/source/tutorials/RhO/RhO.py
@@ -18,7 +18,8 @@ for zi, z0 in enumerate(all_z):
     calc.set_atoms(cluster)
 
     # Compute
-    data = calc.get_theta_phi_scan(level='1s', kinetic_energy=723, data=data)
+    data = calc.get_theta_phi_scan(level='1s', kinetic_energy=723, data=data,
+                                   malloc={'NPH_M': 8000})
     dset = data[-1]
     dset.title = "{:d}) z = {:.2f} angstroms".format(zi, z0)