From 0598b5f0a4917231d3d1542f16896aebc65fd958 Mon Sep 17 00:00:00 2001 From: Nils Wentzell Date: Wed, 8 Apr 2020 15:50:23 -0400 Subject: [PATCH] [py3] In python3 zip is identical to itertools.izip --- python/converters/plovasp/__init__.py | 1 - python/converters/plovasp/inpconf.py | 2 +- python/converters/plovasp/proj_shell.py | 12 ++++++------ 3 files changed, 7 insertions(+), 8 deletions(-) diff --git a/python/converters/plovasp/__init__.py b/python/converters/plovasp/__init__.py index db31c97b..d6a0c54a 100644 --- a/python/converters/plovasp/__init__.py +++ b/python/converters/plovasp/__init__.py @@ -1,4 +1,3 @@ - ################################################################################ # # TRIQS: a Toolbox for Research in Interacting Quantum Systems diff --git a/python/converters/plovasp/inpconf.py b/python/converters/plovasp/inpconf.py index 584bd7a3..47c2b95d 100644 --- a/python/converters/plovasp/inpconf.py +++ b/python/converters/plovasp/inpconf.py @@ -396,7 +396,7 @@ class ConfigParameters: except (ValueError, AttributeError): raise ValueError("Failed to extract shell indices from a list: %s"%(sec_shells)) - self.sh_sections = {ind: sec for ind, sec in it.izip(sh_inds, sec_shells)} + self.sh_sections = {ind: sec for ind, sec in zip(sh_inds, sec_shells)} # Check that all indices are unique # In principle redundant because the list of sections will contain only unique names diff --git a/python/converters/plovasp/proj_shell.py b/python/converters/plovasp/proj_shell.py index 7ff5922b..fde27ac0 100644 --- a/python/converters/plovasp/proj_shell.py +++ b/python/converters/plovasp/proj_shell.py @@ -329,7 +329,7 @@ class ProjectorShell: ib2 = self.ib_max + 1 if site_diag: for isp in range(ns): - for ik, weight, occ in it.izip(it.count(), kweights, occnums[isp, :, :]): + for ik, weight, occ in zip(it.count(), kweights, occnums[isp, :, :]): for io in range(nion): proj_k = self.proj_win[io, isp, ik, ...] occ_mats[isp, io, :, :] += np.dot(proj_k * occ[ib1:ib2], @@ -339,7 +339,7 @@ class ProjectorShell: else: proj_k = np.zeros((ndim, nbtot), dtype=np.complex128) for isp in range(ns): - for ik, weight, occ in it.izip(it.count(), kweights, occnums[isp, :, :]): + for ik, weight, occ in zip(it.count(), kweights, occnums[isp, :, :]): for io in range(nion): i1 = io * nlm i2 = (io + 1) * nlm @@ -376,7 +376,7 @@ class ProjectorShell: ib1 = self.ib_min ib2 = self.ib_max + 1 for isp in range(ns): - for ik, weight, occ, eigk in it.izip(it.count(), kweights, occnums[isp, :, :], + for ik, weight, occ, eigk in zip(it.count(), kweights, occnums[isp, :, :], el_struct.eigvals[:, ib1:ib2, isp]): for io in range(nion): proj_k = self.proj_win[io, isp, ik, ...] @@ -439,9 +439,9 @@ class ProjectorShell: dos[ie, isp, io, im] += np.sum((cti * w_k[itt[1:, :], ib, isp, io, im].real).sum(0) * itt[0, :]) dos *= 2 * el_struct.kmesh['volt'] -# for isp in xrange(ns): -# for ik, weight, occ in it.izip(it.count(), kweights, occnums[isp, :, :]): -# for io in xrange(nion): +# for isp in range(ns): +# for ik, weight, occ in zip(it.count(), kweights, occnums[isp, :, :]): +# for io in range(nion): # proj_k = self.proj_win[isp, io, ik, ...] # occ_mats[isp, io, :, :] += np.dot(proj_k * occ[ib1:ib2], # proj_k.conj().T).real * weight