[Tests]Fix md_nsteps in 04_FF (50DP&101NEP) (#6872)

ZhouXY-PKU · web-flow · commit c82406bb404b · 2026-01-21T10:54:01.000+08:00
* Increase md_nstep from 3 to 4

* Increase md_nstep from 3 to 4 in INPUT file
diff --git a/tests/04_FF/101_NEP_HfO2/INPUT b/tests/04_FF/101_NEP_HfO2/INPUT
@@ -10,12 +10,12 @@ 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
 md_thermostat       nhc  
 md_dumpfreq         1
 md_seed             1
 
-init_vel            1
+init_vel            1
diff --git 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
