Undesirable behavior to fix

[dbkchu]

• [x] Sometimes resubmits jobs that are already running with "unidentified error" (fixed by db2f794)
  • [x] check how completeness of output file is determined
• [ ] Cannot handle manually killed jobs at less than 5000 SCF iterations
• [ ] Possibly kills jobs waiting to resubmit due to .out file still existing
• [ ] Overwrites queue and GPU settings upon resub
• [ ] Only flags bad initial geometries after optimization finishes
• [ ] Does simple_resub on charge/spin mismatch & all other unknown errors
• [ ] #21

[dbkchu]

Undesirable io behavior:

• [x] write_input does not default to scf diis+a and maxit 500 (fixed by 36545d7)