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update test_deepmd_deep_on in test_hti_gen_lammps_input
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Yi-FanLi committed Dec 11, 2023
1 parent 102a025 commit c960398
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion tests/test_hti_gen_lammps_input.py
Original file line number Diff line number Diff line change
Expand Up @@ -157,7 +157,7 @@ def test_deepmd_deep_on(self, patch_random):
thermo_style custom step ke pe etotal enthalpy temp press vol v_l_spring c_e_diff[1] c_allmsd[*]
thermo_modify format 9 %.16e
thermo_modify format 10 %.16e
# dump 1 all custom ${DUMP_FREQ} dump.hti id type x y z vx vy vz
dump 1 all custom ${DUMP_FREQ} dump.hti id type x y z vx vy vz
fix 1 all npt temp ${TEMP} ${TEMP} ${TAU_T} iso ${PRES} ${PRES} ${TAU_P}
# --------------------- INITIALIZE -----------------------
velocity all create ${TEMP} 7858
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