diff --git a/python/lammps.py b/python/lammps.py index c6a4b6168e..81016f6349 100644 --- a/python/lammps.py +++ b/python/lammps.py @@ -125,12 +125,15 @@ class lammps: return self.lib.lammps_version(self.lmp) def file(self,file): + file = file.encode() self.lib.lammps_file(self.lmp,file) def command(self,cmd): + cmd = cmd.encode() self.lib.lammps_command(self.lmp,cmd) def extract_global(self,name,type): + name = name.encode() if type == 0: self.lib.lammps_extract_global.restype = POINTER(c_int) elif type == 1: @@ -140,6 +143,7 @@ class lammps: return ptr[0] def extract_atom(self,name,type): + name = name.encode() if type == 0: self.lib.lammps_extract_atom.restype = POINTER(c_int) elif type == 1: @@ -153,6 +157,7 @@ class lammps: return ptr def extract_compute(self,id,style,type): + id = id.encode() if type == 0: if style > 0: return None self.lib.lammps_extract_compute.restype = POINTER(c_double) @@ -172,6 +177,7 @@ class lammps: # double was allocated by library interface function def extract_fix(self,id,style,type,i=0,j=0): + id = ide.encode() if style == 0: self.lib.lammps_extract_fix.restype = POINTER(c_double) ptr = self.lib.lammps_extract_fix(self.lmp,id,style,type,i,j) @@ -195,6 +201,8 @@ class lammps: # memory was allocated by library interface function def extract_variable(self,name,group,type): + name = name.encode() + group = group.encode() if type == 0: self.lib.lammps_extract_variable.restype = POINTER(c_double) ptr = self.lib.lammps_extract_variable(self.lmp,name,group) @@ -218,6 +226,8 @@ class lammps: # returns 0 for success, -1 if failed def set_variable(self,name,value): + name = name.encode() + value = str(value).encode() return self.lib.lammps_set_variable(self.lmp,name,str(value)) # return total number of atoms in system @@ -228,6 +238,7 @@ class lammps: # return vector of atom properties gathered across procs, ordered by atom ID def gather_atoms(self,name,type,count): + name = name.encode() natoms = self.lib.lammps_get_natoms(self.lmp) if type == 0: data = ((count*natoms)*c_int)() @@ -242,4 +253,7 @@ class lammps: # assume vector is of correct type and length, as created by gather_atoms() def scatter_atoms(self,name,type,count,data): + name = name.encode() self.lib.lammps_scatter_atoms(self.lmp,name,type,count,data) + +