From 62b886e1d5853ac7bf7b748a109ebb7b4ad68e9f Mon Sep 17 00:00:00 2001 From: Han Wang Date: Thu, 28 Apr 2022 09:59:57 +0800 Subject: [PATCH] fix bug of aparam size, should be nlocal_real --- source/api_cc/src/DeepPot.cc | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/source/api_cc/src/DeepPot.cc b/source/api_cc/src/DeepPot.cc index 047c665e8d..efa7f15166 100644 --- a/source/api_cc/src/DeepPot.cc +++ b/source/api_cc/src/DeepPot.cc @@ -369,7 +369,7 @@ compute (ENERGYTYPE & dener, select_map(datype, datype_, fwd_map, 1); // aparam if (daparam > 0){ - aparam.resize(bkw_map.size()); + aparam.resize(bkw_map.size() - nghost_real); select_map(aparam, aparam_, fwd_map, daparam); } // internal nlist