From 59af51ca91e0f4c1d8a56199380d47e44ff0f33a Mon Sep 17 00:00:00 2001
From: Aidan Thompson <athomps@sandia.gov>
Date: Mon, 18 Nov 2019 23:51:08 -0700
Subject: [PATCH] Added code to create pressure compute snap_press behind the
 scenes

---
 examples/snap/in.snap.compute |  1 -
 src/SNAP/compute_snap.cpp     | 11 +++++++++++
 2 files changed, 11 insertions(+), 1 deletion(-)

diff --git a/examples/snap/in.snap.compute b/examples/snap/in.snap.compute
index 9d0739f327..f6038ff37a 100644
--- a/examples/snap/in.snap.compute
+++ b/examples/snap/in.snap.compute
@@ -70,7 +70,6 @@ compute		vbsum all reduce sum c_vb[*]
 # set up new-style global compute
 
 compute 	snap all snap ${rcutfac} ${rfac0} ${twojmax} ${radelem1} ${radelem2} ${wj1} ${wj2} rmin0 ${rmin0} quadraticflag 0 bzeroflag 0 switchflag 0
-compute 	snap_press all pressure NULL virial
 fix 		snap all ave/time 1 1 1 c_snap[*] file compute.snap.dat mode vector
 
 thermo 		100
diff --git a/src/SNAP/compute_snap.cpp b/src/SNAP/compute_snap.cpp
index 72fce3b01b..80f731dcf3 100644
--- a/src/SNAP/compute_snap.cpp
+++ b/src/SNAP/compute_snap.cpp
@@ -207,10 +207,21 @@ void ComputeSnap::init()
   // add compute for reference virial tensor
 
   char *id_virial = (char *) "snap_press";
+
+  char **newarg = new char*[5];
+  newarg[0] = id_virial;
+  newarg[1] = (char *) "all";
+  newarg[2] = (char *) "pressure";
+  newarg[3] = (char *) "NULL";
+  newarg[4] = (char *) "virial";
+  modify->add_compute(5,newarg);
+  delete [] newarg;
+
   int ivirial = modify->find_compute(id_virial);
   if (ivirial == -1)
     error->all(FLERR,"compute snap requires that compute snap_press exists.");
   c_virial = modify->compute[ivirial];
+
 }