@ -705,9 +705,9 @@ class lammps(object):
|
||||
underlying :cpp:func:`lammps_get_natoms` function returning a double.
|
||||
|
||||
:return: number of atoms
|
||||
:rtype: float
|
||||
:rtype: int
|
||||
"""
|
||||
return self.lib.lammps_get_natoms(self.lmp)
|
||||
return int(self.lib.lammps_get_natoms(self.lmp))
|
||||
|
||||
# -------------------------------------------------------------------------
|
||||
|
||||
@ -1140,7 +1140,7 @@ class lammps(object):
|
||||
|
||||
def gather_atoms(self,name,type,count):
|
||||
if name: name = name.encode()
|
||||
natoms = self.lib.lammps_get_natoms(self.lmp)
|
||||
natoms = self.get_natoms()
|
||||
if type == 0:
|
||||
data = ((count*natoms)*c_int)()
|
||||
self.lib.lammps_gather_atoms(self.lmp,name,type,count,data)
|
||||
@ -1154,7 +1154,7 @@ class lammps(object):
|
||||
|
||||
def gather_atoms_concat(self,name,type,count):
|
||||
if name: name = name.encode()
|
||||
natoms = self.lib.lammps_get_natoms(self.lmp)
|
||||
natoms = self.get_natoms()
|
||||
if type == 0:
|
||||
data = ((count*natoms)*c_int)()
|
||||
self.lib.lammps_gather_atoms_concat(self.lmp,name,type,count,data)
|
||||
@ -1206,7 +1206,7 @@ class lammps(object):
|
||||
# e.g. for Python list or NumPy or ctypes
|
||||
def gather(self,name,type,count):
|
||||
if name: name = name.encode()
|
||||
natoms = self.lib.lammps_get_natoms(self.lmp)
|
||||
natoms = self.get_natoms()
|
||||
if type == 0:
|
||||
data = ((count*natoms)*c_int)()
|
||||
self.lib.lammps_gather(self.lmp,name,type,count,data)
|
||||
@ -1218,7 +1218,7 @@ class lammps(object):
|
||||
|
||||
def gather_concat(self,name,type,count):
|
||||
if name: name = name.encode()
|
||||
natoms = self.lib.lammps_get_natoms(self.lmp)
|
||||
natoms = self.get_natoms()
|
||||
if type == 0:
|
||||
data = ((count*natoms)*c_int)()
|
||||
self.lib.lammps_gather_concat(self.lmp,name,type,count,data)
|
||||
|
||||
Reference in New Issue
Block a user