ICODE-ADC/lammps
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modernize and improve error message handling

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This commit is contained in:
Axel Kohlmeyer
2022-09-24 04:12:54 -04:00
parent 5ddb0aeb16
commit 46820a90c5
2 changed files with 24 additions and 34 deletions
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examples/mliap/in.mliap.unified.lj.Ar
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@ -1,7 +1,7 @@
# create pickle of unified model
shell rm mliap_unified_lj_Ar.pkl
shell rm -f mliap_unified_lj_Ar.pkl
shell python pickle_mliap_unified_lj_Ar.py
# 3d Lennard-Jones melt
@ -17,7 +17,7 @@ mass 1 1.0
velocity all create 3.0 87287 loop geom
pair_style mliap unified mliap_unified_lj_Ar.pkl
pair_style mliap unified mliap_unified_lj_Ar.pkl 0
pair_coeff * * Ar
neighbor 0.3 bin