From a7c92b6903e1c01e916e6cf7172f42ce7ab84788 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 21 Nov 2024 09:46:36 +0100 Subject: [PATCH] Forgot offset in example --- docs/examples.org | 2 ++ 1 file changed, 2 insertions(+) diff --git a/docs/examples.org b/docs/examples.org index d21be98..a406f82 100644 --- a/docs/examples.org +++ b/docs/examples.org @@ -491,6 +491,7 @@ feof = False W = np.zeros( (n,n,n,n) ) while not feof: buffer_index, buffer_values, icount, feof = trexio.read_mo_2e_int_eri(f, offset, icount) + offset += icount for m in range(icount): i, j, k, l = buffer_index[m] W[i,j,k,l] = buffer_values[m] @@ -515,6 +516,7 @@ feof = False G = np.zeros( (n,n,n,n) ) while not feof: buffer_index, buffer_values, icount, feof = trexio.read_rdm_2e(f, offset, icount) + offset += icount for m in range(icount): i, j, k, l = buffer_index[m] G[i,j,k,l] = buffer_values[m]