From cafa60ef17ddcc902851f297b885644cb4da9b95 Mon Sep 17 00:00:00 2001 From: Sarath Menon Date: Tue, 21 Mar 2023 09:05:15 +0100 Subject: [PATCH] change np.int to np.int64 --- pyiron_contrib/atomistics/pacemaker/job.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyiron_contrib/atomistics/pacemaker/job.py b/pyiron_contrib/atomistics/pacemaker/job.py index 74bb2d3e1..a829b30c5 100644 --- a/pyiron_contrib/atomistics/pacemaker/job.py +++ b/pyiron_contrib/atomistics/pacemaker/job.py @@ -287,7 +287,7 @@ def collect_output(self): predicted_data_fs.add_array('energy', dtype=np.float64, shape=(), per='chunk') predicted_data_fs.add_array('energy_true', dtype=np.float64, shape=(), per='chunk') - predicted_data_fs.add_array('number_of_atoms', dtype=np.int, shape=(), per='chunk') + predicted_data_fs.add_array('number_of_atoms', dtype=np.int64, shape=(), per='chunk') predicted_data_fs.add_array('forces', dtype=np.float64, shape=(3,), per='element') predicted_data_fs.add_array('forces_true', dtype=np.float64, shape=(3,), per='element')