Is there a way to turn off fermi smearing for openmopac v23

[tobigithub]

Is there a way for QCxMS to turn off fermi smearing when using openmopac v23 (https://github.com/openmopac/mopac) because openmopac stumbles over the "fermi= 298." keyword

error message from qcxms generated OpenMOPAC 23 input file:

                             PM6-DH2 CALCULATION RESULTS

 *******************************************************************************
 *  CALCULATION DONE: (MAX THREADS = 8)                                               *
 *  GEO-OK     - OVERRIDE INTERATOMIC DISTANCE AND OTHER SAFETY CHECKS
 *  PM6-DH2    - CORRECT DISPERSION AND HYDROGEN BOND TERMS USING PM6-DH2
 *  UHF        - UNRESTRICTED HARTREE-FOCK CALCULATION
 *
 *
 *
 *                 CHARGE ON SYSTEM = +1
 *
 *
 *
 *  XYZ        - CARTESIAN COORDINATE SYSTEM TO BE USED
 *  1SCF       - DO 1 SCF AND THEN STOP
 *  T=         - A TIME OF 172800.0 SECONDS REQUESTED
 *  DUMP=N     - RESTART FILE WRITTEN EVERY 7200.0 SECONDS REQUESTED
 *  SCFCRT     - DEFAULT SCF CRITERION REPLACED BY   0.100E-04
 *  AUX        - OUTPUT AUXILIARY INFORMATION
 *  DENOUT     - SAVE DENSITY MATRIX FOR USE LATER
 *  GRADIENTS  - ALL GRADIENTS TO BE PRINTED
 *  SPIN       - FINAL UHF SPIN MATRIX TO BE PRINTED

          UNRECOGNIZED KEY-WORDS: (FERMI= 298.)

          IF THESE ARE DEBUG KEYWORDS, ADD THE KEYWORD "DEBUG".

qcxms generated MOPAC input file:

1scf gradients aux(42,PRECISION=9,MOS=-99996,COMP) uhf denout scfcrt=1.d-5 geo-ok xyz spin charge=1 pm6-dh2 fermi=  298.


   C     0.91631928809434    1    0.17236529592558    1    0.00005385370501    1
   C     0.35090837372554    1   -1.06022106917354    1    0.00004057820378    1
   C    -1.82948142799515    1   -0.15308268213279    1    0.00009373090872    1
   O    -3.04167085029788    1   -0.25435083634815    1    0.00011529291072    1
   N    -0.99689509818584    1   -1.25046105076101    1    0.00004518260420    1
   N    -1.21991810462130    1    1.10125160498834    1    0.00011774181094    1
   C     0.15059127960115    1    1.37094459216291    1    0.00006342540590    1
   O     0.59187150932897    1    2.50885236425934    1    0.00004526540421    1
   N     2.28388263484289    1   -0.03577522322618    1    0.00003924110365    1
   N     1.30691491270978    1   -2.02803931815598    1    0.00001750930163    1
   C     2.45538514868825    1   -1.37171132353420    1    0.00002007310187    1
   C     3.30657879212757    1    1.01443981571705    1    0.00005278200491    1
   C    -1.56443628085271    1   -2.60745088372649    1    0.00001563310145    1
   C    -2.15099629928784    1    2.24805244991159    1    0.00018283411700    1
   H     3.41637302333563    1   -1.82738236679999    1    0.00000982080091    1
   H     3.19426963628567    1    1.63284316801280    1    0.87696388923529    1
   H     3.19397014985783    1    1.63313055713952    1   -0.87661215960259    1
   H     4.28005111363568    1    0.54723666707906    1   -0.00018620801731    1
   H    -1.23467164479300    1   -3.14054724409086    1    0.87994532231249    1
   H    -1.23483595430828    1   -3.14045248258205    1   -0.88003312872066    1
   H    -2.63546880603144    1   -2.50621094891375    1    0.00011560511075    1
   H    -2.77811063569349    1    2.20632566933206    1    0.87760715069510    1
   H    -2.77798766188206    1    2.20653224725127    1   -0.87734021237028    1
   H    -1.55640828420631    1    3.14335673855207    1    0.00032422583015    1

when removing " fermi= 298." openmopac 23 runs fine and finishes OK:

 **********************
 *                    *
 * JOB ENDED NORMALLY *
 *                    *
 **********************



 TOTAL JOB TIME:             0.05 SECONDS

 == MOPAC DONE ==

[tobigithub]

One follow up question, what is actually the fully supported MOPAC version? Is it mopac7 or any of the [openmopac versions]? (https://github.com/openmopac/mopac) Thank you!

[tobigithub]

It seems that none of the older MOPAC7, 2016 or OpenMopac support fermi smearing? But its hard coded.

   if(ihamilt.eq.1) write(methode,'(''am1 fermi='',f6.0)') dum
   if(ihamilt.eq.2) write(methode,'(''pm3 fermi='',f6.0)') dum
   if(ihamilt.eq.3) write(methode,'(''rm1 fermi='',f6.0)') dum
   if(ihamilt.eq.4) write(methode,'(''pm6-dh2 fermi='',f6.0)') dum