From 25307b049cf8ae4d4944d605f218be80c83f9dfe Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Mateo=20Rodr=C3=ADguez?= Date: Tue, 22 Apr 2025 14:55:38 +0200 Subject: [PATCH] Update and rename mol-pair-lj_improved_cut.yaml to mol-pair-lj_pirani.yaml New name --- ...{mol-pair-lj_improved_cut.yaml => mol-pair-lj_pirani.yaml} | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) rename unittest/force-styles/tests/{mol-pair-lj_improved_cut.yaml => mol-pair-lj_pirani.yaml} (99%) diff --git a/unittest/force-styles/tests/mol-pair-lj_improved_cut.yaml b/unittest/force-styles/tests/mol-pair-lj_pirani.yaml similarity index 99% rename from unittest/force-styles/tests/mol-pair-lj_improved_cut.yaml rename to unittest/force-styles/tests/mol-pair-lj_pirani.yaml index 03ec5be6b0..df56942a8c 100644 --- a/unittest/force-styles/tests/mol-pair-lj_improved_cut.yaml +++ b/unittest/force-styles/tests/mol-pair-lj_pirani.yaml @@ -6,12 +6,12 @@ epsilon: 5e-14 skip_tests: prerequisites: ! | atom full - pair lj/improved/cut + pair lj/pirani pre_commands: ! "" post_commands: ! | pair_modify shift yes input_file: in.fourmol -pair_style: lj/improved/cut 8.0 +pair_style: lj/pirani 8.0 pair_coeff: ! | 1 1 1.0 12.0 6.0 2.5 0.02 1 2 1.5 9.0 6.0 1.75 0.01