From 90118e3cfb6fa620dfc5a20849a96fd3b07da9e3 Mon Sep 17 00:00:00 2001 From: Fulvio Paleari Date: Fri, 11 Oct 2024 12:44:33 +0200 Subject: [PATCH] Cleaned tutorial scripts --- .../databases_qepy/bn-semiconductor/plot-qe-bands.py | 4 ---- .../databases_qepy/bn-semiconductor/plot-qe-orbitals.py | 3 --- tutorial/databases_qepy/gw-bands/plot-qp.py | 9 +-------- tutorial/databases_qepy/iron-metal/plot-qe-bands.py | 5 ----- .../iron-metal/plot-qe-orbitals-colormap.py | 5 ----- .../databases_qepy/iron-metal/plot-qe-orbitals-size.py | 5 ----- tutorial/databases_yambopy/exc_kspace_plot.py | 1 + 7 files changed, 2 insertions(+), 30 deletions(-) diff --git a/tutorial/databases_qepy/bn-semiconductor/plot-qe-bands.py b/tutorial/databases_qepy/bn-semiconductor/plot-qe-bands.py index 0abf3952..2114ece1 100644 --- a/tutorial/databases_qepy/bn-semiconductor/plot-qe-bands.py +++ b/tutorial/databases_qepy/bn-semiconductor/plot-qe-bands.py @@ -1,8 +1,4 @@ -from __future__ import print_function, division -import sys -import argparse from qepy import * -from schedulerpy import * from math import sqrt # k-points map diff --git a/tutorial/databases_qepy/bn-semiconductor/plot-qe-orbitals.py b/tutorial/databases_qepy/bn-semiconductor/plot-qe-orbitals.py index 24a3510d..a82e10f5 100644 --- a/tutorial/databases_qepy/bn-semiconductor/plot-qe-orbitals.py +++ b/tutorial/databases_qepy/bn-semiconductor/plot-qe-orbitals.py @@ -1,7 +1,4 @@ -import sys -import argparse from qepy import * -from schedulerpy import * from math import sqrt # Matplotlib options diff --git a/tutorial/databases_qepy/gw-bands/plot-qp.py b/tutorial/databases_qepy/gw-bands/plot-qp.py index 92150d04..446b55e9 100644 --- a/tutorial/databases_qepy/gw-bands/plot-qp.py +++ b/tutorial/databases_qepy/gw-bands/plot-qp.py @@ -1,13 +1,6 @@ -# -# Author: Alejandro Molina-Sanchez -# -# Example of YamboQPDB Class -# -from qepy import * from yambopy import * import matplotlib.pyplot as plt - # Define path in reduced coordinates using Class Path npoints = 10 path = Path([ [[ 0.0, 0.0, 0.0],'$\Gamma$'], @@ -57,7 +50,7 @@ plt.show() -# 4. Comparison of not-interpolaed and interpolated eigenvalues +# 4. Comparison of not-interpolated and interpolated eigenvalues fig = plt.figure(figsize=(4,5)) ax = fig.add_axes( [ 0.20, 0.20, 0.70, 0.70 ]) diff --git a/tutorial/databases_qepy/iron-metal/plot-qe-bands.py b/tutorial/databases_qepy/iron-metal/plot-qe-bands.py index 4066df9e..8e21cdb5 100644 --- a/tutorial/databases_qepy/iron-metal/plot-qe-bands.py +++ b/tutorial/databases_qepy/iron-metal/plot-qe-bands.py @@ -1,9 +1,4 @@ -from __future__ import print_function, division -import sys -import argparse from qepy import * -from schedulerpy import * -from math import sqrt # k-points map npoints = 50 diff --git a/tutorial/databases_qepy/iron-metal/plot-qe-orbitals-colormap.py b/tutorial/databases_qepy/iron-metal/plot-qe-orbitals-colormap.py index 5321eb2d..03f79714 100644 --- a/tutorial/databases_qepy/iron-metal/plot-qe-orbitals-colormap.py +++ b/tutorial/databases_qepy/iron-metal/plot-qe-orbitals-colormap.py @@ -1,9 +1,4 @@ -import sys -import argparse from qepy import * -from schedulerpy import * - -# Matplotlib options import matplotlib.pyplot as plt # k-points map diff --git a/tutorial/databases_qepy/iron-metal/plot-qe-orbitals-size.py b/tutorial/databases_qepy/iron-metal/plot-qe-orbitals-size.py index 24ae46e9..055f00fb 100644 --- a/tutorial/databases_qepy/iron-metal/plot-qe-orbitals-size.py +++ b/tutorial/databases_qepy/iron-metal/plot-qe-orbitals-size.py @@ -1,9 +1,4 @@ -import sys -import argparse from qepy import * -from schedulerpy import * - -# Matplotlib options import matplotlib.pyplot as plt # k-points map diff --git a/tutorial/databases_yambopy/exc_kspace_plot.py b/tutorial/databases_yambopy/exc_kspace_plot.py index 167613b9..9af90479 100644 --- a/tutorial/databases_yambopy/exc_kspace_plot.py +++ b/tutorial/databases_yambopy/exc_kspace_plot.py @@ -57,6 +57,7 @@ [int(npoints*2),int(npoints),int(sqrt(5)*npoints)] ) ## [2.] Read electron energies + ## NB: A YamboQPDB object containing QP corrections is also accepted yel = YamboElectronsDB.from_db_file(folder=save_path+'/SAVE') ## [3.A] Plot without interpolating the values