From 738825c81a2986a83413fc254114b595dc4b88a5 Mon Sep 17 00:00:00 2001 From: "Kurt A. O'Hearn" <ohearnku@msu.edu> Date: Fri, 26 Feb 2021 14:10:18 -0500 Subject: [PATCH] Test: add README for QMMM. --- test/library/qmmm_amber/fortran_stub/README.txt | 5 +++++ 1 file changed, 5 insertions(+) create mode 100644 test/library/qmmm_amber/fortran_stub/README.txt diff --git a/test/library/qmmm_amber/fortran_stub/README.txt b/test/library/qmmm_amber/fortran_stub/README.txt new file mode 100644 index 00000000..e1885254 --- /dev/null +++ b/test/library/qmmm_amber/fortran_stub/README.txt @@ -0,0 +1,5 @@ +This code informally tracks the QMMM interface contributed to AmberMD +for running QMMM simulations with ReaxFF using PuReMD. + +The driver code is a stub for Amber and uses snapshots of QMMM +simulations to test the PuReMD-side interface for QMMM. -- GitLab