From 41ffe0c829cd0f177ad20160f959618a985df7e2 Mon Sep 17 00:00:00 2001
From: Sebastian Kloth <sebastian.kloth@pkm.tu-darmstadt.de>
Date: Sat, 27 Jan 2024 14:53:53 +0100
Subject: [PATCH] Started example for dynamic properties

---
 examples/dynamic_properties.py | 19 +++++++++++++++++++
 1 file changed, 19 insertions(+)
 create mode 100644 examples/dynamic_properties.py

diff --git a/examples/dynamic_properties.py b/examples/dynamic_properties.py
new file mode 100644
index 0000000..3323637
--- /dev/null
+++ b/examples/dynamic_properties.py
@@ -0,0 +1,19 @@
+print(md.correlation.msd(trajectory[0], trajectory[-1]))
+
+result_msd = md.correlation.shifted_correlation(
+    md.correlation.msd, oxygen_water, segments=10, skip=0.1, average=True
+)
+result_msd_nojump = md.correlation.shifted_correlation(
+    md.correlation.msd, oxygen_water.nojump, segments=10, skip=0.1, average=True
+)
+
+plt.figure()
+plt.plot(result_msd[0], result_msd[1], ".", label="pbc")
+plt.plot(result_msd_nojump[0], result_msd_nojump[1], "-", label="nojump")
+plt.legend()
+plt.xscale("log")
+plt.yscale("log")
+plt.xlabel(r"$t$ in ps", fontsize=16)
+plt.ylabel(r"$\langle r^2\rangle(t)$ in nm$^2$", fontsize=16)
+plt.show()
+plt.close()
\ No newline at end of file