From deb084c9d1de64b3b186aed9628604fe0130d893 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Mart=C3=AD=20Raya=20Moreno?= <35523421+mrm24@users.noreply.github.com> Date: Thu, 9 Apr 2026 14:25:34 +0200 Subject: [PATCH] Fix to force.cpp The derivative arrays are now initialized to 0. --- src/geometry/force.cpp | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/src/geometry/force.cpp b/src/geometry/force.cpp index 34cf78009..97746b6cf 100644 --- a/src/geometry/force.cpp +++ b/src/geometry/force.cpp @@ -846,6 +846,10 @@ Force::add_ibs_force(K_point* kp__, Hamiltonian_k& Hk__, mdarray } for (int x = 0; x < 3; x++) { + + o1.zero(); + h1.zero(); + for (int igk_col = 0; igk_col < kp__->num_gkvec_col(); igk_col++) { // loop over columns auto gvec_col = kp__->gkvec_col().gvec(gvec_index_t::local(igk_col)); for (int igk_row = 0; igk_row < kp__->num_gkvec_row(); igk_row++) { // loop over rows