# your .bashrc file will contain commands. Add these to the end of the file.
#
# User commands

AJMHOME=/home/apw185

#NWChem
export NWCHEM_TOP=${HOME}/NWChem/nwchem-6.6/
export NWCHEM_TARGET=LINUX64
export NWCHEM_INSTALL=${AJMHOME}/install/nwchem-6.6
export NWCHEM_BASIS_LIBRARY=${NWCHEM_INSTALL}/data/libraries/


# Define the system PATH:
export PATH=${AJMHOME}/bin:${AJMHOME}/install/bin/:${NWCHEM_INSTALL}/bin/:${PATH}

# Make a scratch directory in your home dir:
export SCRATCH=${HOME}/scratch/

# Other commands:
export QUEUE='batch'
export CORES=4
export OMP_NUM_THREADS=1