From 20dd44bde1a627aa59e169fbfb5ab28ea6d13396 Mon Sep 17 00:00:00 2001 From: Alyn James Date: Mon, 17 Apr 2023 10:58:53 +0100 Subject: [PATCH] fixed numpy arrays --- python/triqs_dft_tools/converters/elk.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/python/triqs_dft_tools/converters/elk.py b/python/triqs_dft_tools/converters/elk.py index ab11d022..b55b0697 100644 --- a/python/triqs_dft_tools/converters/elk.py +++ b/python/triqs_dft_tools/converters/elk.py @@ -551,7 +551,7 @@ class ElkConverter(ConverterTools,Elk_tools,read_Elk): #check variables are in correct format if ngrid.size != 3: assert 0, "The input numpy ngrid is not the required size of 3!" - elif ngrid.dtype != numpy.int_: + elif ngrid.dtype != int: assert 0, "The input numpy ngrid is not an array of integers." elif kgrid.shape != (4,3): assert 0, "The input numpy kgrid is not the required size of (4x3)!" @@ -594,7 +594,7 @@ class ElkConverter(ConverterTools,Elk_tools,read_Elk): [en,occ,nstsv]=read_Elk.read_eig(self,filext=filext) #read projectors - proj_mat = numpy.zeros([n_k, n_spin_blocs, n_corr_shells, max([crsh['dim'] for crsh in corr_shells]), nstsv], numpy.complex_) + proj_mat = numpy.zeros([n_k, n_spin_blocs, n_corr_shells, max([crsh['dim'] for crsh in corr_shells]), nstsv], complex) mpi.report("Reading projector(s)") for ish in range(n_corr_shells): [n_orbitals,band_window,rep,proj_mat]=read_Elk.read_projector(self,corr_shells,n_spin_blocs,ish,proj_mat,ind,T,basis,filext) @@ -682,7 +682,7 @@ class ElkConverter(ConverterTools,Elk_tools,read_Elk): # #get the sort entry which is just the species index for Elk # [ns, na, atpos]=read_Elk.read_geometry(self) # isrt=0 -# sort=numpy.zeros([self.n_atoms], numpy.integer) +# sort=numpy.zeros([self.n_atoms],int) # #arrange sort(species) order # for i in range(ns): # for ia in range(na[i]): @@ -706,7 +706,7 @@ class ElkConverter(ConverterTools,Elk_tools,read_Elk): # # Initialise P, here a double list of matrices: -# band_dens_muffin = numpy.zeros([self.n_k, n_spin_blocs, n_shells, so*(2*lmax+1), numpy.max(self.n_orbitals)], numpy.float_) +# band_dens_muffin = numpy.zeros([self.n_k, n_spin_blocs, n_shells, so*(2*lmax+1), numpy.max(self.n_orbitals)], float) # for ik in range(self.n_k): # for isp in range(n_spin_blocs): # ish=0