From 470256cc37a58fe954748dd4e99bd27bf718599a Mon Sep 17 00:00:00 2001 From: Alex Selimov Date: Sat, 17 Feb 2024 21:53:47 -0500 Subject: [PATCH] Add readme --- README.md | 3 +++ input/eamalloy.in | 9 +++++++++ 2 files changed, 12 insertions(+) create mode 100644 README.md create mode 100644 input/eamalloy.in diff --git a/README.md b/README.md new file mode 100644 index 0000000..8273777 --- /dev/null +++ b/README.md @@ -0,0 +1,3 @@ +# CAC + +This is the code generated as a culmination of my PhD efforts. diff --git a/input/eamalloy.in b/input/eamalloy.in new file mode 100644 index 0000000..31852f8 --- /dev/null +++ b/input/eamalloy.in @@ -0,0 +1,9 @@ +read_data cu_block.restart +potential eamalloy Cu_mishin1.eam.alloy Cu +#potential eamtab +neighbor 2.0 +dump out 100 Cu +thermo 10 +#set_force all null null 0 +min_style fire +minimize 1d-12 1d-12 100000