From 994a631150d0b79bcecfae7930681b008deaefb2 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 11 Jan 2025 17:43:05 -0500 Subject: [PATCH] add "post no" for single-shot runs --- python/examples/ipython/dihedrals/dihedral.ipynb | 6 +++--- python/examples/ipython/montecarlo/mc.ipynb | 4 ++-- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/python/examples/ipython/dihedrals/dihedral.ipynb b/python/examples/ipython/dihedrals/dihedral.ipynb index ed8faeaa86..6a214a51dc 100644 --- a/python/examples/ipython/dihedrals/dihedral.ipynb +++ b/python/examples/ipython/dihedrals/dihedral.ipynb @@ -94,7 +94,7 @@ "metadata": {}, "outputs": [], "source": [ - "cmd.run(0);" + "cmd.run(0, \"post\", \"no\");" ] }, { @@ -158,7 +158,7 @@ "metadata": {}, "outputs": [], "source": [ - "cmd.run(0)" + "cmd.run(0, \"post\", \"no\")" ] }, { @@ -200,7 +200,7 @@ "pe = []\n", "for p in pos:\n", " x[3] = p\n", - " cmd.run(0);\n", + " cmd.run(0, \"post\", \"no\");\n", " pe.append(L.get_thermo(\"pe\"))" ] }, diff --git a/python/examples/ipython/montecarlo/mc.ipynb b/python/examples/ipython/montecarlo/mc.ipynb index d6c1a03e54..e480955694 100644 --- a/python/examples/ipython/montecarlo/mc.ipynb +++ b/python/examples/ipython/montecarlo/mc.ipynb @@ -100,7 +100,7 @@ "metadata": {}, "outputs": [], "source": [ - "cmd.run(0)" + "cmd.run(0, \"post\", \"no\")" ] }, { @@ -158,7 +158,7 @@ "metadata": {}, "outputs": [], "source": [ - "cmd.run(0)" + "cmd.run(0, \"post\", \"no\")" ] }, {