From 468cf6efc74bc9204e5a16f4ed56edfe477e3e15 Mon Sep 17 00:00:00 2001 From: phibeck Date: Mon, 20 Mar 2023 11:10:40 -0400 Subject: [PATCH] refactor: simplify code in computing velocities --- python/triqs_dft_tools/sumk_dft_transport.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/python/triqs_dft_tools/sumk_dft_transport.py b/python/triqs_dft_tools/sumk_dft_transport.py index 1b73986d..1bca2294 100644 --- a/python/triqs_dft_tools/sumk_dft_transport.py +++ b/python/triqs_dft_tools/sumk_dft_transport.py @@ -319,10 +319,10 @@ def recompute_w90_input_on_different_mesh(sum_k, seedname, nk_optics, pathname=' elif oc_basis == 'w': # first term Hw_alpha_R = dataK.Ham_R.copy() - for i in range(1): - shape_cR = numpy.shape(dataK.cRvec_wcc) - Hw_alpha_R = 1j * Hw_alpha_R.reshape((Hw_alpha_R.shape) + (1, )) * dataK.cRvec_wcc.reshape( - (shape_cR[0], shape_cR[1], dataK.system.nRvec) + (1, ) * len(Hw_alpha_R.shape[3:]) + (3, )) + # following three lines copied from wannierberri/data_K.py + shape_cR = numpy.shape(dataK.cRvec_wcc) + Hw_alpha_R = 1j * Hw_alpha_R.reshape((Hw_alpha_R.shape) + (1, )) * dataK.cRvec_wcc.reshape( + (shape_cR[0], shape_cR[1], dataK.system.nRvec) + (1, ) * len(Hw_alpha_R.shape[3:]) + (3, )) Hw_alpha = dataK.fft_R_to_k(Hw_alpha_R, hermitean=False)[dataK.select_K] # second term Aw_alpha = dataK.fft_R_to_k(dataK.AA_R, hermitean=True)