Results from an HeteroFAM Request
Making molecular modeling accessible by combining NWChem, databases, web APIs (https://heterofam.pnnl.gov/api/arrows), and email (arrows@emsl.pnnl.gov)
#chemdb_queue_nwchem - version 2.0 - arrows_api url= http://localhost:8080/api/
######################### START NWCHEM INPUT DECK - NWJOB 1250 ########################
#
# queue_nwchem_JobId: 69eb8f12c3372a84423436b2
# queue_nwchem_restart_count: 0
echo
5
10.000 0.000 0.000 0.000 10.000 0.000 0.000 0.000 10.000
C 0.00000 0.00000 0.00000
H 0.63000 0.63000 0.63000
H -0.63000 -0.63000 0.63000
H -0.63000 0.63000 -0.63000
H 0.63000 -0.63000 -0.63000
### restart here ###
# queue_name: nwchem :queue_name
# label:nwchem-162.nw {{self}} :label######################### END NWCHEM INPUT DECK - NWJOB 1250 ########################