From 491d3d3317033662f7d186370fabaf5fa6647abf Mon Sep 17 00:00:00 2001 From: Christoph Junghans Date: Thu, 14 Nov 2019 10:00:31 -0700 Subject: [PATCH] wang_landau_reaction_ensemble.py: use np.transpose --- testsuite/python/wang_landau_reaction_ensemble.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/testsuite/python/wang_landau_reaction_ensemble.py b/testsuite/python/wang_landau_reaction_ensemble.py index 4d3f451a46a..26baab5e014 100644 --- a/testsuite/python/wang_landau_reaction_ensemble.py +++ b/testsuite/python/wang_landau_reaction_ensemble.py @@ -78,7 +78,7 @@ class ReactionEnsembleTest(ut.TestCase): # generate preliminary_energy_run_results here, this should be done in a # separate simulation without energy reweighting using the update energy # functions - np.savetxt("energy_boundaries.dat", np.c_[[0, 1], [0, 0], [9, 9]], + np.savetxt("energy_boundaries.dat", np.transpose([[0, 1], [0, 0], [9, 9]]), delimiter='\t', header="nbar E_potmin E_potmax") WLRE.add_collective_variable_degree_of_association(