From 8a95ad194e3d72d8c08ddca11c775bb073d7e75e Mon Sep 17 00:00:00 2001
From: edoapra <edoardo.apra@gmail.com>
Date: Wed, 4 May 2022 17:37:31 -0700
Subject: [PATCH] plumed.dat input file

---
 .../qmd_plumed_xtb_sn2/qmd_plumed_xtb_sn2.plumed.dat | 12 ++++++++++++
 1 file changed, 12 insertions(+)
 create mode 100644 QA/tests/qmd_plumed_xtb_sn2/qmd_plumed_xtb_sn2.plumed.dat

diff --git a/QA/tests/qmd_plumed_xtb_sn2/qmd_plumed_xtb_sn2.plumed.dat b/QA/tests/qmd_plumed_xtb_sn2/qmd_plumed_xtb_sn2.plumed.dat
new file mode 100644
index 0000000000..61794c1c33
--- /dev/null
+++ b/QA/tests/qmd_plumed_xtb_sn2/qmd_plumed_xtb_sn2.plumed.dat
@@ -0,0 +1,12 @@
+# switching on metadynamics and Gaussian parameters
+e: ENERGY
+d13: DISTANCE ATOMS=1,3
+d23: DISTANCE ATOMS=2,3
+# 0.3 hills height every 100
+METAD  ARG=d13 SIGMA=0.3 HEIGHT=0.001 PACE=2 LABEL=meta13
+UPPER_WALLS ARG=d13 AT=7.0 KAPPA=100.0  EXP=4. LABEL=uwall
+LOWER_WALLS ARG=d13 AT=2.5 KAPPA=100.0  EXP=4. LABEL=lwall
+PRINT ...
+ FILE=COLVAR ARG=* STRIDE=1
+... PRINT
+ENDPLUMED