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Added the malloc keyword. 

In the stereo scan, the malloc keyword is now specified.
This commit is contained in:
Sylvain Tricot 2022-02-08 14:39:03 +01:00
parent 925d694099
commit 1fd9509608
1 changed files with 2 additions and 1 deletions
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doc/source/tutorials/RhO/RhO.py
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@ -18,7 +18,8 @@ for zi, z0 in enumerate(all_z):
calc.set_atoms(cluster) calc.set_atoms(cluster)
# Compute # 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 = data[-1]
dset.title = "{:d}) z = {:.2f} angstroms".format(zi, z0) dset.title = "{:d}) z = {:.2f} angstroms".format(zi, z0)