From 7104d1bfcab0f4749c801598475bcc8f93415696 Mon Sep 17 00:00:00 2001 From: Steven Ray Anaya Date: Tue, 16 Aug 2022 02:56:53 -0600 Subject: [PATCH] Change hippynn examples to load from .pt files --- examples/mliap/in.mliap.unified.hippynn.Al | 2 +- examples/mliap/in.mliap.unified.hippynn.Al.ghostneigh | 2 +- examples/mliap/in.mliap.unified.hippynn.InP | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/examples/mliap/in.mliap.unified.hippynn.Al b/examples/mliap/in.mliap.unified.hippynn.Al index 02af7ababa..e92de9bb00 100644 --- a/examples/mliap/in.mliap.unified.hippynn.Al +++ b/examples/mliap/in.mliap.unified.hippynn.Al @@ -24,7 +24,7 @@ mass 1 26.981 # 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 # Setup output diff --git a/examples/mliap/in.mliap.unified.hippynn.Al.ghostneigh b/examples/mliap/in.mliap.unified.hippynn.Al.ghostneigh index 583f7c645e..b6322d9e7d 100644 --- a/examples/mliap/in.mliap.unified.hippynn.Al.ghostneigh +++ b/examples/mliap/in.mliap.unified.hippynn.Al.ghostneigh @@ -24,7 +24,7 @@ mass 1 26.981 # 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 # Setup output diff --git a/examples/mliap/in.mliap.unified.hippynn.InP b/examples/mliap/in.mliap.unified.hippynn.InP index 26fce32e19..c4cafbcae3 100644 --- a/examples/mliap/in.mliap.unified.hippynn.InP +++ b/examples/mliap/in.mliap.unified.hippynn.InP @@ -26,7 +26,7 @@ mass 2 30.98 # choose potential # 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 #dump 4 all custom 1 forces.xyz fx fy fz