From 37d3bd8d8eea87ec8ccf1cefd8a8cd29adf530d2 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Mon, 1 Aug 2022 00:48:04 -0400 Subject: [PATCH] fix deprecated bare `pair_coeff` (#831) --- dpgen/auto_test/template/elastic/lmp/potential.mod | 2 +- examples/run/dp-lammps-enhance_sampling/lmp/input.lammps | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/dpgen/auto_test/template/elastic/lmp/potential.mod b/dpgen/auto_test/template/elastic/lmp/potential.mod index a401edca0..3ad5b0e1f 100644 --- a/dpgen/auto_test/template/elastic/lmp/potential.mod +++ b/dpgen/auto_test/template/elastic/lmp/potential.mod @@ -4,7 +4,7 @@ # ================= Choose potential ======================== pair_style deepmd graph.000.pb graph.001.pb graph.002.pb graph.003.pb 400 model_devi.out #pair_style deepmd frozen_model.pb -pair_coeff +pair_coeff * * # Setup neighbor style neigh_modify every 1 delay 0 check yes diff --git a/examples/run/dp-lammps-enhance_sampling/lmp/input.lammps b/examples/run/dp-lammps-enhance_sampling/lmp/input.lammps index 05af2c07e..e498fa0f9 100644 --- a/examples/run/dp-lammps-enhance_sampling/lmp/input.lammps +++ b/examples/run/dp-lammps-enhance_sampling/lmp/input.lammps @@ -20,7 +20,7 @@ mass 2 1.008 #Interatomic potentials - DeepMD pair_style deepmd -pair_coeff +pair_coeff * * #MD parameters