From 2eb6a8a8a4b37006c8c353771f8aa84d0364f51c Mon Sep 17 00:00:00 2001 From: tomswinburne Date: Tue, 1 Sep 2020 10:55:45 +0200 Subject: [PATCH] update python interface --- python/lammps.py | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/python/lammps.py b/python/lammps.py index 7d543a254d..7c699afeb3 100644 --- a/python/lammps.py +++ b/python/lammps.py @@ -682,10 +682,10 @@ class lammps(object): natoms = self.lib.lammps_get_natoms(self.lmp) if type == 0: data = ((count*natoms)*c_int)() - self.lib.lammps_gather_atoms(self.lmp,name,type,count,data) + self.lib.lammps_gather(self.lmp,name,type,count,data) elif type == 1: data = ((count*natoms)*c_double)() - self.lib.lammps_gather_atoms(self.lmp,name,type,count,data) + self.lib.lammps_gather(self.lmp,name,type,count,data) else: return None return data @@ -694,10 +694,10 @@ class lammps(object): natoms = self.lib.lammps_get_natoms(self.lmp) if type == 0: data = ((count*natoms)*c_int)() - self.lib.lammps_gather_atoms_concat(self.lmp,name,type,count,data) + self.lib.lammps_gather_concat(self.lmp,name,type,count,data) elif type == 1: data = ((count*natoms)*c_double)() - self.lib.lammps_gather_atoms_concat(self.lmp,name,type,count,data) + self.lib.lammps_gather_concat(self.lmp,name,type,count,data) else: return None return data @@ -705,10 +705,10 @@ class lammps(object): if name: name = name.encode() if type == 0: data = ((count*ndata)*c_int)() - self.lib.lammps_gather_atoms_subset(self.lmp,name,type,count,ndata,ids,data) + self.lib.lammps_gather_subset(self.lmp,name,type,count,ndata,ids,data) elif type == 1: data = ((count*ndata)*c_double)() - self.lib.lammps_gather_atoms_subset(self.lmp,name,type,count,ndata,ids,data) + self.lib.lammps_gather_subset(self.lmp,name,type,count,ndata,ids,data) else: return None return data @@ -723,11 +723,11 @@ class lammps(object): def scatter(self,name,type,count,data): if name: name = name.encode() - self.lib.lammps_scatter_atoms(self.lmp,name,type,count,data) + self.lib.lammps_scatter(self.lmp,name,type,count,data) def scatter_subset(self,name,type,count,ndata,ids,data): if name: name = name.encode() - self.lib.lammps_scatter_atoms_subset(self.lmp,name,type,count,ndata,ids,data) + self.lib.lammps_scatter_subset(self.lmp,name,type,count,ndata,ids,data) # create N atoms on all procs # N = global number of atoms