From ba25aada4a95881581c9defc62838509ba8ec2ba Mon Sep 17 00:00:00 2001 From: Levi Zhou <31941107+ZhouXY-PKU@users.noreply.github.com> Date: Tue, 20 Jan 2026 14:23:13 +0800 Subject: [PATCH 1/2] Increase md_nstep from 3 to 4 --- tests/04_FF/50_DP_Al/INPUT | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/04_FF/50_DP_Al/INPUT b/tests/04_FF/50_DP_Al/INPUT index 5a0498ea07..e67b738de4 100644 --- a/tests/04_FF/50_DP_Al/INPUT +++ b/tests/04_FF/50_DP_Al/INPUT @@ -10,7 +10,7 @@ pot_file ../../PP_ORB/Al-SCAN.pb cal_force 1 cal_stress 1 -md_nstep 3 +md_nstep 4 md_type msst md_dt 1 md_tfirst 200 From fe1f5e0ef87c7014efb9b5a982e743aadc1b195c Mon Sep 17 00:00:00 2001 From: Levi Zhou <31941107+ZhouXY-PKU@users.noreply.github.com> Date: Tue, 20 Jan 2026 14:24:43 +0800 Subject: [PATCH 2/2] Increase md_nstep from 3 to 4 in INPUT file --- tests/04_FF/101_NEP_HfO2/INPUT | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tests/04_FF/101_NEP_HfO2/INPUT b/tests/04_FF/101_NEP_HfO2/INPUT index c22347b7a2..9265e9d3a2 100644 --- a/tests/04_FF/101_NEP_HfO2/INPUT +++ b/tests/04_FF/101_NEP_HfO2/INPUT @@ -10,7 +10,7 @@ pot_file ../../PP_ORB/nep_hfo2.txt cal_force 1 cal_stress 1 -md_nstep 3 +md_nstep 4 md_type npt md_dt 1 md_tfirst 300 @@ -18,4 +18,4 @@ md_thermostat nhc md_dumpfreq 1 md_seed 1 -init_vel 1 \ No newline at end of file +init_vel 1