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Change hippynn examples to load from .pt files

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This commit is contained in:
Steven Ray Anaya
2022-08-16 02:56:53 -06:00
parent 0ba0a382c3
commit 7104d1bfca
3 changed files with 3 additions and 3 deletions
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2
examples/mliap/in.mliap.unified.hippynn.Al
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@ -24,7 +24,7 @@ mass 1 26.981
# choose potential # choose potential
pair_style mliap unified ../../../hippynn/examples/mliap_unified_hippynn_Al.pkl pair_style mliap unified ../../../hippynn/examples/mliap_unified_hippynn_Al.pt
pair_coeff * * Al pair_coeff * * Al
# Setup output # Setup output

2
examples/mliap/in.mliap.unified.hippynn.Al.ghostneigh
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@ -24,7 +24,7 @@ mass 1 26.981
# choose potential # choose potential
pair_style mliap unified ghostneigh ../../../hippynn/examples/mliap_unified_hippynn_Al_multilayer.pkl pair_style mliap unified ghostneigh ../../../hippynn/examples/mliap_unified_hippynn_Al_multilayer.pt
pair_coeff * * Al pair_coeff * * Al
# Setup output # Setup output

2
examples/mliap/in.mliap.unified.hippynn.InP
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@ -26,7 +26,7 @@ mass 2 30.98
# choose potential # choose potential
# Specify MLIAP Unified pair style # Specify MLIAP Unified pair style
pair_style mliap unified ../../../hippynn/examples/mliap_unified_hippynn_InP.pkl pair_style mliap unified ../../../hippynn/examples/mliap_unified_hippynn_InP.pt
pair_coeff * * In P pair_coeff * * In P
#dump 4 all custom 1 forces.xyz fx fy fz #dump 4 all custom 1 forces.xyz fx fy fz