Could anyone please point to me, the source of the error coming from this python tool when running neb example.
The path to LAMMPS_PYTHON_TOOL was set and numeric was installed successfully as instructed in the README file.
I am not sure if the problem is coming from the python tool path or the system python file named "/usr/lib64/python2.4/UserDict.py" or both.
FYI : I set the LAMMPS_PYTHON_TOOL path inside the neb_combine.py file itself instead of the .bashrc file.
The error is shown below.
####################### ERROR BEGINS ############################################
$ python ~/lammps-23May11/tools/python/neb_combine.py -o dump.hop1.combine -b dump.nonneb.1 -r dump.neb.*
Traceback (most recent call last):
File "/home/syo/lammps-23May11/tools/python/neb_combine.py", line 13, in ?
path = os.environ["/home/syo/lammps-23May11/tools/python/pizza/"]
File "/usr/lib64/python2.4/UserDict.py", line 17, in __getitem__
def __getitem__(self, key): return self.data[key]
KeyError: '/home/syo/lammps-23May11/tools/python/pizza/'
############################### ERROR ENDS ##################################