diff --git a/samples/grand_canonical.py b/samples/grand_canonical.py index bc5fa32f57a..38e312bfd77 100644 --- a/samples/grand_canonical.py +++ b/samples/grand_canonical.py @@ -43,10 +43,10 @@ parser = argparse.ArgumentParser(epilog=__doc__ + epilog) parser.add_argument('cs_bulk', type=float, - help="bulk salt concentration [1/sigma^3]") + help="bulk salt concentration [1/sigma^3], e.g. 1e-3") parser.add_argument('excess_chemical_potential', type=float, - help="excess chemical potential [kT] " - "(obtained from Widom's insertion method)") + help="excess chemical potential [kT] (obtained from " + "Widom's insertion method), e.g. -0.36") args = parser.parse_args() # System parameters diff --git a/samples/lb_profile.py b/samples/lb_profile.py index 9d599af91fa..b3cb65da2f7 100644 --- a/samples/lb_profile.py +++ b/samples/lb_profile.py @@ -71,7 +71,6 @@ system.integrator.run(n_steps) lb_fluid_profile = accumulator.get_mean() -lb_fluid_profile = np.reshape(lb_fluid_profile, (100, 1, 1, 3)) def poiseuille_flow(r, R, ext_force_density): diff --git a/samples/widom_insertion.py b/samples/widom_insertion.py index e44b4701d73..dc6672341a7 100644 --- a/samples/widom_insertion.py +++ b/samples/widom_insertion.py @@ -32,7 +32,7 @@ parser = argparse.ArgumentParser(epilog=__doc__) parser.add_argument('cs_bulk', type=float, - help="bulk salt concentration [1/sigma^3]") + help="bulk salt concentration [1/sigma^3], e.g. 1e-3") args = parser.parse_args() # System parameters diff --git a/testsuite/scripts/samples/CMakeLists.txt b/testsuite/scripts/samples/CMakeLists.txt index 7fd4d80f588..69fcd4b459a 100644 --- a/testsuite/scripts/samples/CMakeLists.txt +++ b/testsuite/scripts/samples/CMakeLists.txt @@ -38,7 +38,7 @@ if(HDF5_FOUND) endif() sample_test(FILE test_lbf.py SUFFIX cpu) sample_test(FILE test_lbf.py SUFFIX gpu LABELS "gpu") -sample_test(FILE test_lb_profile.py) +sample_test(FILE test_lb_profile.py LABELS "gpu") sample_test(FILE test_lj_liquid_distribution.py) sample_test(FILE test_lj_liquid.py) sample_test(FILE test_lj_liquid_structurefactor.py)