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

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Merged
mohanchen merged 2 commits into from
Jan 21, 2026
Merged

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

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ba25aad
Increase md_nstep from 3 to 4
ZhouXY-PKU Jan 20, 2026
fe1f5e0
Increase md_nstep from 3 to 4 in INPUT file
ZhouXY-PKU Jan 20, 2026
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4 changes: 2 additions & 2 deletions tests/04_FF/101_NEP_HfO2/INPUT
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Original file line number Diff line number Diff line change
Expand Up @@ -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
2 changes: 1 addition & 1 deletion tests/04_FF/50_DP_Al/INPUT
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Expand Up @@ -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
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