add support for extracting respa levels and timestep values

This commit is contained in:
Axel Kohlmeyer
2021-03-25 11:22:22 -04:00
committed by Richard Berger
parent e0fdd2ad89
commit b8f02d759a
3 changed files with 30 additions and 1 deletions

View File

@ -758,6 +758,8 @@ class lammps(object):
'sublo_lambda':3, 'subhi_lambda':3, 'periodicity':3 }
if name in vec_dict:
veclen = vec_dict[name]
elif name == 'respa_dt':
veclen = self.extract_global('respa_levels',LAMMPS_INT)
else:
veclen = 1