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switch proc_grid to procgrid with backward compatibility for PyLammps

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Axel Kohlmeyer
2024-06-18 21:13:14 -04:00
parent d2ea3b1ac5
commit 19a8313578
4 changed files with 8 additions and 9 deletions
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2
python/lammps/core.py
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@ -891,7 +891,7 @@ class lammps(object):
# set length of vector for items that are not a scalar
vec_dict = { 'boxlo':3, 'boxhi':3, 'sublo':3, 'subhi':3,
'sublo_lambda':3, 'subhi_lambda':3, 'periodicity':3,
'special_lj':4, 'special_coul':4, 'proc_grid':3 }
'special_lj':4, 'special_coul':4, 'procgrid':3 }
if name in vec_dict:
veclen = vec_dict[name]
elif name == 'respa_dt':

2
python/lammps/pylammps.py
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@ -796,7 +796,7 @@ class PyLammps(object):
comm = {}
comm['nprocs'] = self.lmp.extract_setting("world_size")
comm['nthreads'] = self.lmp.extract_setting("nthreads")
comm['proc_grid'] = self.lmp.extract_global("proc_grid")
comm['proc_grid'] = comm['procgrid'] = self.lmp.extract_global("procgrid")
idx = self.lmp.extract_setting("comm_style")
comm['comm_style'] = ('brick', 'tiled')[idx]
idx = self.lmp.extract_setting("comm_style")