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1 parent 7234224 commit 8769790Copy full SHA for 8769790
dpti/equi.py
@@ -203,7 +203,9 @@ def gen_equi_lammps_input(
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)
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equi_thermo_settings = gen_equi_thermo_settings(timestep=timestep)
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equi_dump_settings = gen_equi_dump_settings(if_dump_avg_posi=if_dump_avg_posi)
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- equi_ensemble_settings = gen_equi_ensemble_settings(ens=ens, if_dump_avg_posi=if_dump_avg_posi)
+ equi_ensemble_settings = gen_equi_ensemble_settings(
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+ ens=ens, if_dump_avg_posi=if_dump_avg_posi
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+ )
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equi_lammps_input = (
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equi_header
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