From 2e3f67d71d62a39816e1074597243abc1679297f Mon Sep 17 00:00:00 2001
From: Michele Ceriotti <ceriottm@users.noreply.github.com>
Date: Mon, 19 Feb 2024 21:26:57 +0100
Subject: [PATCH] Add (and update) lost input.xml from an old example (#312)

* Add (and update) lost input.xml
* Excluded obsolete (and tricky to automate) example from tests
---
 examples/temp/ph2/rpmd/input.xml     | 30 ++++++++++++++++++++++++++++
 ipi_tests/examples/excluded_test.txt |  1 +
 2 files changed, 31 insertions(+)
 create mode 100644 examples/temp/ph2/rpmd/input.xml

diff --git a/examples/temp/ph2/rpmd/input.xml b/examples/temp/ph2/rpmd/input.xml
new file mode 100644
index 000000000..d6427c64b
--- /dev/null
+++ b/examples/temp/ph2/rpmd/input.xml
@@ -0,0 +1,30 @@
+<simulation verbosity='high'>
+   <output prefix='run_YYY/testXXX'>
+      <trajectory stride='1' filename='vel'> v_centroid </trajectory>
+      <properties stride='1'> [ step, time{picosecond}, conserved{kelvin}, temperature{kelvin}, kinetic_cv{kelvin}, potential{kelvin}, pressure_cv{megapascal}] </properties>
+   </output>
+  <total_steps>8000</total_steps>
+  <prng>
+    <seed>31415</seed>
+  </prng>
+  <ffsocket name='sgdriver' mode='unix'>
+    <address>run-YYY-XXX</address>
+  </ffsocket>
+  <system>
+    <initialize nbeads='24'>
+        <file mode="chk"> run_YYY/RESTART </file>
+        <velocities mode='thermal' units='kelvin'> 25 </velocities>
+    </initialize>
+    <forces>
+      <force forcefield='sgdriver'> </force>
+    </forces>
+    <motion mode='dynamics'>
+      <dynamics mode='nve'>
+        <timestep units='femtosecond'> 1 </timestep>
+      </dynamics>
+    </motion>
+    <ensemble>
+      <temperature units='kelvin'>25</temperature>
+    </ensemble>
+  </system>
+</simulation>
diff --git a/ipi_tests/examples/excluded_test.txt b/ipi_tests/examples/excluded_test.txt
index 19e91eaf3..0c20b81f3 100644
--- a/ipi_tests/examples/excluded_test.txt
+++ b/ipi_tests/examples/excluded_test.txt
@@ -4,6 +4,7 @@ broken/ffdebye/single_particle
 broken/lammps/h2o-constraints
 broken/lammps/isof-vapor                                                           # Isotope-zeta-sc is stopping the termination of the run
 broken/lammps/isof-water                                                           # Isotope-zeta-sc is stopping the termination of the run
+temp/ph2/rpmd   # long and complicated  
 
 # Needs infrastructure fixing