From a9604b3838d708e0721fcda87a164edd6689fa3c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Fran=C3=A7ois=20Coppens?= Date: Thu, 4 Mar 2021 18:36:51 +0100 Subject: [PATCH] Cleaned-up main loop. --- src/SM_MaponiA3.cpp | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/src/SM_MaponiA3.cpp b/src/SM_MaponiA3.cpp index d73cf6b..2ab3c16 100644 --- a/src/SM_MaponiA3.cpp +++ b/src/SM_MaponiA3.cpp @@ -76,18 +76,18 @@ void MaponiA3(double *Slater_inv, unsigned int Dim, } tmp = p[l+1]; p[l+1] = p[lbar]; p[lbar] = tmp; component = Updates_index[p[l+1] - 1]; - beta = 1 + ylk[l+1 - 1][p[l+1]][component]; + beta = 1 + ylk[l][p[l+1]][component]; if (beta == 0) { cout << "Break-down occured. Exiting..." << endl; exit(1); } - for (k = l+1 + 1; k < N_updates + 1; k++) { - alpha = ylk[l+1 - 1][p[k]][component] / beta; + for (k = l+2; k < N_updates + 1; k++) { + alpha = ylk[l][p[k]][component] / beta; cout << "( l, k, p[k], component ) = (" << l << ", " << k << ", " << p[k] << ", " << component << ")" << endl; for (i = 1; i < Dim + 1; i++) { cout << "ylk[" << l << "][p[" << k << "]][" << i << "] = ylk[" << l - 1 << "][p[" << k << "]][" << i << "] - alpha * ylk[" << l - 1 << "][p[" << l << "]][" << i << "]" << endl; - ylk[l+1][p[k]][i] = ylk[l+1 - 1][p[k]][i] - - alpha * ylk[l+1 - 1][p[l+1]][i]; + ylk[l+1][p[k]][i] = ylk[l][p[k]][i] + - alpha * ylk[l][p[l+1]][i]; } } }