From a4bff8988b5ca6c8f557f137e558b4e327638d93 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 12 Aug 2024 21:55:13 -0400 Subject: [PATCH] add missing potentials via symlinks --- examples/PACKAGES/electron_stopping/AlCu.eam.alloy | 1 + examples/PACKAGES/electron_stopping/SiC.tersoff.zbl | 1 + examples/PACKAGES/electron_stopping/in.cascade_AlCu | 4 ++-- examples/PACKAGES/electron_stopping/in.cascade_SiSi | 2 +- 4 files changed, 5 insertions(+), 3 deletions(-) create mode 120000 examples/PACKAGES/electron_stopping/AlCu.eam.alloy create mode 120000 examples/PACKAGES/electron_stopping/SiC.tersoff.zbl diff --git a/examples/PACKAGES/electron_stopping/AlCu.eam.alloy b/examples/PACKAGES/electron_stopping/AlCu.eam.alloy new file mode 120000 index 0000000000..c9470b2084 --- /dev/null +++ b/examples/PACKAGES/electron_stopping/AlCu.eam.alloy @@ -0,0 +1 @@ +../../../potentials/AlCu.eam.alloy \ No newline at end of file diff --git a/examples/PACKAGES/electron_stopping/SiC.tersoff.zbl b/examples/PACKAGES/electron_stopping/SiC.tersoff.zbl new file mode 120000 index 0000000000..15740788fd --- /dev/null +++ b/examples/PACKAGES/electron_stopping/SiC.tersoff.zbl @@ -0,0 +1 @@ +../../../potentials/SiC.tersoff.zbl \ No newline at end of file diff --git a/examples/PACKAGES/electron_stopping/in.cascade_AlCu b/examples/PACKAGES/electron_stopping/in.cascade_AlCu index 26a8852f24..cdbe452aa1 100644 --- a/examples/PACKAGES/electron_stopping/in.cascade_AlCu +++ b/examples/PACKAGES/electron_stopping/in.cascade_AlCu @@ -12,8 +12,8 @@ region box block -10 10 -10 10 -10 10 create_box 2 box create_atoms 1 box -pair_style eam/alloy -pair_coeff * * ../../../../potentials/AlCu.eam.alloy Al Cu +pair_style eam/alloy +pair_coeff * * AlCu.eam.alloy Al Cu mass 1 26.982 mass 2 63.546 diff --git a/examples/PACKAGES/electron_stopping/in.cascade_SiSi b/examples/PACKAGES/electron_stopping/in.cascade_SiSi index 4596f51904..65cabb3890 100644 --- a/examples/PACKAGES/electron_stopping/in.cascade_SiSi +++ b/examples/PACKAGES/electron_stopping/in.cascade_SiSi @@ -13,7 +13,7 @@ create_box 1 box create_atoms 1 box pair_style tersoff/zbl -pair_coeff * * ../../../../potentials/SiC.tersoff.zbl Si +pair_coeff * * SiC.tersoff.zbl Si mass 1 28.0855