From 758af2cf98e4ebf04a4da9555009125db9e76754 Mon Sep 17 00:00:00 2001 From: "Dr. Sefer Bora Lisesivdin" Date: Wed, 5 Jun 2024 10:46:37 +0300 Subject: [PATCH] Localization -> Localisation --- gpawsolve.py | 22 +++++++++++----------- 1 file changed, 11 insertions(+), 11 deletions(-) diff --git a/gpawsolve.py b/gpawsolve.py index 26ae08a..e1379e7 100755 --- a/gpawsolve.py +++ b/gpawsolve.py @@ -205,7 +205,7 @@ def __init__(self, struct): self.Opt_cut_of_energy = Opt_cut_of_energy self.Opt_nblocks = Opt_nblocks self.MPI_cores = MPI_cores - self.Localization = Localization + self.Localisation = Localisation self.bulk_configuration = bulk_configuration self.struct = struct self.dos_xlabel = dos_xlabel @@ -798,15 +798,15 @@ def doscalc(self, drawfigs = False): ax = plt.gca() ax.plot(downf[0], -1.0*downf[1], 'y') ax.plot(upf[0], upf[1], 'b') - ax.set_xlabel(dos_xlabel[Localization]) - ax.set_ylabel(dos_ylabel[Localization]) + ax.set_xlabel(dos_xlabel[Localisation]) + ax.set_ylabel(dos_ylabel[Localisation]) else: dosf = pd.read_csv(struct+'-2-Result-DOS.csv', header=None) dosf[0]=dosf[0]+ef ax = plt.gca() ax.plot(dosf[0], dosf[1], 'b') - ax.set_xlabel(dos_xlabel[Localization]) - ax.set_ylabel(dos_ylabel[Localization]) + ax.set_xlabel(dos_xlabel[Localisation]) + ax.set_ylabel(dos_ylabel[Localisation]) plt.xlim(Energy_min+ef, Energy_max+ef) autoscale_y(ax) plt.savefig(struct+'-2-Graph-DOS.png', dpi=300) @@ -823,15 +823,15 @@ def doscalc(self, drawfigs = False): ax = plt.gca() ax.plot(downf[0], -1.0*downf[1], 'y') ax.plot(upf[0], upf[1], 'b') - ax.set_xlabel(dos_xlabel[Localization]) - ax.set_ylabel(dos_ylabel[Localization]) + ax.set_xlabel(dos_xlabel[Localisation]) + ax.set_ylabel(dos_ylabel[Localisation]) else: dosf = pd.read_csv(struct+'-2-Result-DOS.csv', header=None) dosf[0]=dosf[0]+ef ax = plt.gca() ax.plot(dosf[0], dosf[1], 'b') - ax.set_xlabel(dos_xlabel[Localization]) - ax.set_ylabel(dos_ylabel[Localization]) + ax.set_xlabel(dos_xlabel[Localisation]) + ax.set_ylabel(dos_ylabel[Localisation]) plt.xlim(Energy_min+ef, Energy_max+ef) autoscale_y(ax) plt.savefig(struct+'-2-Graph-DOS.png', dpi=300) @@ -1015,7 +1015,7 @@ def bandcalc(self, drawfigs = False): plt.savefig(struct+'-3-Graph-Band.png', dpi=300) plt.show() else: - bs.plot(filename=struct+'-3-Graph-Band.png', show=True, emax=Energy_max + bs.reference, emin=Energy_min + bs.reference, ylabel=band_ylabel[Localization]) + bs.plot(filename=struct+'-3-Graph-Band.png', show=True, emax=Energy_max + bs.reference, emin=Energy_min + bs.reference, ylabel=band_ylabel[Localisation]) else: # Draw graphs only on master node if world.rank == 0: @@ -1029,7 +1029,7 @@ def bandcalc(self, drawfigs = False): plt.savefig(struct+'-3-Graph-Band.png', dpi=300) #plt.show() else: - bs.plot(filename=struct+'-3-Graph-Band.png', show=False, emax=Energy_max + bs.reference, emin=Energy_min + bs.reference, ylabel=band_ylabel[Localization]) + bs.plot(filename=struct+'-3-Graph-Band.png', show=False, emax=Energy_max + bs.reference, emin=Energy_min + bs.reference, ylabel=band_ylabel[Localisation]) def densitycalc(self): """