diff --git a/tools/run_sim.py b/tools/run_sim.py index 302d777ee9ad103b0cea22abed072da5ba098281..43f4ea2dde476baa09cb2083f19ff272528a8fb2 100644 --- a/tools/run_sim.py +++ b/tools/run_sim.py @@ -38,8 +38,8 @@ class TestCase(): r'(?P<key>\bremove_CoM_vel\b\s+)\S+(?P<comment>.*)', r'\g<key>%s\g<comment>' % x, l), \ 'reneighbor': lambda l, x: sub( r'(?P<key>\breneighbor\b\s+)\S+(?P<comment>.*)', r'\g<key>%s\g<comment>' % x, l), \ - 'update_energy_freq': lambda l, x: sub( - r'(?P<key>\bupdate_energy_freq\b\s+)\S+(?P<comment>.*)', r'\g<key>%s\g<comment>' % x, l), \ + 'energy_update_freq': lambda l, x: sub( + r'(?P<key>\benergy_update_freq\b\s+)\S+(?P<comment>.*)', r'\g<key>%s\g<comment>' % x, l), \ 'tabulate_long_range': lambda l, x: sub( r'(?P<key>\btabulate_long_range\b\s+)\S+(?P<comment>.*)', r'\g<key>%s\g<comment>' % x, l), \ 'vlist_buffer': lambda l, x: sub( @@ -609,7 +609,7 @@ if __name__ == '__main__': 'reposition_atoms': ['0'], 'remove_CoM_vel': ['500'], 'reneighbor': ['1'], - 'update_energy_freq': ['1'], + 'energy_update_freq': ['1'], 'tabulate_long_range': ['0'], 'vlist_buffer': ['0.0'], 'nbrhood_cutoff': ['5.0'],