#
# Versions >= 01. OCTOBER 2010 R3
#
export AUXDATA=/opt/chemsoft/$ARC/GAMESS_OCT012010R3/auxdata

export ERICFMT=$AUXDATA/ericfmt.dat
if [ \! -f "$ERICFMT" -o \! -r "$ERICFMT" ] ; then
    unset ERICFMT
fi
export MCPPATH=$AUXDATA/MCP
if [ \! -d "$MCPPATH" -o \! -r "$MCPPATH" -o \! -x "$MCPPATH" ] ; then
    unset MCPPATH
fi
export BASPATH=$AUXDATA/BASES
if [ \! -d "$BASPATH" -o \! -r "$BASPATH" -o \! -x "$BASPATH" ] ; then
    unset BASPATH
fi
export QUANPOL=$AUXDATA/QUANPOL
if [ \! -d "$QUANPOL" -o \! -r "$QUANPOL" -o \! -x "$QUANPOL" ] ; then
    unset QUANPOL
fi
export  EXTBAS=$EXTERNAL_BASISSET
export  NUCBAS=/dev/null
#
export  MAKEFP=$CUSTOM_TMPDIR/$JOB.efp
export   GAMMA=$CUSTOM_TMPDIR/$JOB.gamma
export TRAJECT=$CUSTOM_TMPDIR/$JOB.trj
export RESTART=$CUSTOM_TMPDIR/$JOB.rst
export   INPUT=$TMPDIR/$JOB.F05
export   PUNCH=$CUSTOM_TMPDIR/$JOB.dat
export  AOINTS=$TMPDIR/$JOB.F08
export  MOINTS=$TMPDIR/$JOB.F09
export DICTNRY=$TMPDIR/$JOB.F10
export DRTFILE=$TMPDIR/$JOB.F11
export CIVECTR=$TMPDIR/$JOB.F12
export CASINTS=$TMPDIR/$JOB.F13
export  CIINTS=$TMPDIR/$JOB.F14
export  WORK15=$TMPDIR/$JOB.F15
export  WORK16=$TMPDIR/$JOB.F16
export CSFSAVE=$TMPDIR/$JOB.F17
export FOCKDER=$TMPDIR/$JOB.F18
export  WORK19=$TMPDIR/$JOB.F19
export  DASORT=$TMPDIR/$JOB.F20
export DFTINTS=$TMPDIR/$JOB.F21
export DFTGRID=$TMPDIR/$JOB.F22
export  JKFILE=$TMPDIR/$JOB.F23
export  ORDINT=$TMPDIR/$JOB.F24
export  EFPIND=$TMPDIR/$JOB.F25
export PCMDATA=$TMPDIR/$JOB.F26
export PCMINTS=$TMPDIR/$JOB.F27
export SVPWRK1=$TMPDIR/$JOB.F26
export SVPWRK2=$TMPDIR/$JOB.F27
export COSCAV=$TMPDIR/$JOB.F26
export COSDATA=$CUSTOM_TMPDIR/$JOB.cosmo
export COSPOT=$CUSTOM_TMPDIR/$JOB.pot
export  MLTPL=$TMPDIR/$JOB.F28
export  MLTPLT=$TMPDIR/$JOB.F29
export  DAFL30=$TMPDIR/$JOB.F30
export  SOINTX=$TMPDIR/$JOB.F31
export  SOINTY=$TMPDIR/$JOB.F32
export  SOINTZ=$TMPDIR/$JOB.F33
export  SORESC=$TMPDIR/$JOB.F34
#   35 is used by RESTART, see above
export GCILIST=$TMPDIR/$JOB.F37
export HESSIAN=$TMPDIR/$JOB.F38
export QMMMTEI=$TMPDIR/$JOB.F39
export SOCCDAT=$TMPDIR/$JOB.F40
export  AABB41=$TMPDIR/$JOB.F41
export  BBAA42=$TMPDIR/$JOB.F42
export  BBBB43=$TMPDIR/$JOB.F43
export  MCQD50=$TMPDIR/$JOB.F50
export  MCQD51=$TMPDIR/$JOB.F51
export  MCQD52=$TMPDIR/$JOB.F52
export  MCQD53=$TMPDIR/$JOB.F53
export  MCQD54=$TMPDIR/$JOB.F54
export  MCQD55=$TMPDIR/$JOB.F55
export  MCQD56=$TMPDIR/$JOB.F56
export  MCQD57=$TMPDIR/$JOB.F57
export  MCQD58=$TMPDIR/$JOB.F58
export  MCQD59=$TMPDIR/$JOB.F59
export  MCQD60=$TMPDIR/$JOB.F60
export  MCQD61=$TMPDIR/$JOB.F61
export  MCQD62=$TMPDIR/$JOB.F62
export  MCQD63=$TMPDIR/$JOB.F63
export  MCQD64=$TMPDIR/$JOB.F64
export NMRINT1=$TMPDIR/$JOB.F61
export NMRINT2=$TMPDIR/$JOB.F62
export NMRINT3=$TMPDIR/$JOB.F63
export NMRINT4=$TMPDIR/$JOB.F64
export NMRINT5=$TMPDIR/$JOB.F65
export NMRINT6=$TMPDIR/$JOB.F66
export DCPHFH2=$TMPDIR/$JOB.F67
export DCPHF21=$TMPDIR/$JOB.F68
export ELNUINT=$TMPDIR/$JOB.F67
export NUNUINT=$TMPDIR/$JOB.F68
export   GVVPT=$TMPDIR/$JOB.F69
export NUMOIN=$TMPDIR/$JOB.F69
export NUMOCAS=$TMPDIR/$JOB.F70
export NUELMO=$TMPDIR/$JOB.F71
export NUELCAS=$TMPDIR/$JOB.F72

#    next files are for RI-MP2
export RIVMAT=$TMPDIR/$JOB.F51
export RIT2A=$TMPDIR/$JOB.F52
export RIT3A=$TMPDIR/$JOB.F53
export RIT2B=$TMPDIR/$JOB.F54
export RIT3B=$TMPDIR/$JOB.F55

#    Next files are for GMCQDPT
export GMCREF=$TMPDIR/$JOB.F70
export GMCO2R=$TMPDIR/$JOB.F71
export GMCROC=$TMPDIR/$JOB.F72
export GMCOOC=$TMPDIR/$JOB.F73
export GMCCC0=$TMPDIR/$JOB.F74
export GMCHMA=$TMPDIR/$JOB.F75
export GMCEI1=$TMPDIR/$JOB.F76
export GMCEI2=$TMPDIR/$JOB.F77
export GMCEOB=$TMPDIR/$JOB.F78
export GMCEDT=$TMPDIR/$JOB.F79
export GMCERF=$TMPDIR/$JOB.F80
export GMCHCR=$TMPDIR/$JOB.F81
export GMCGJK=$TMPDIR/$JOB.F82
export GMCGAI=$TMPDIR/$JOB.F83
export GMCGEO=$TMPDIR/$JOB.F84
export GMCTE1=$TMPDIR/$JOB.F85
export GMCTE2=$TMPDIR/$JOB.F86
export GMCHEF=$TMPDIR/$JOB.F87
export GMCMOL=$TMPDIR/$JOB.F88
export GMCMOS=$TMPDIR/$JOB.F89
export GMCWGT=$TMPDIR/$JOB.F90
export GMCRM2=$TMPDIR/$JOB.F91
export GMCRM1=$TMPDIR/$JOB.F92
export GMCR00=$TMPDIR/$JOB.F93
export GMCRP1=$TMPDIR/$JOB.F94
export GMCRP2=$TMPDIR/$JOB.F95
export GMCVEF=$TMPDIR/$JOB.F96
export GMCDIN=$TMPDIR/$JOB.F97
export GMC2SZ=$TMPDIR/$JOB.F98
export GMCCCS=$TMPDIR/$JOB.F99

#    Next files are used only during closed shell coupled cluster runs.
#    Display the numerous definitions iff they are going to be used.
export  CCREST=$TMPDIR/$JOB.F70
export  CCDIIS=$TMPDIR/$JOB.F71
export  CCINTS=$TMPDIR/$JOB.F72
export CCT1AMP=$TMPDIR/$JOB.F73
export CCT2AMP=$TMPDIR/$JOB.F74
export CCT3AMP=$TMPDIR/$JOB.F75
export    CCVM=$TMPDIR/$JOB.F76
export    CCVE=$TMPDIR/$JOB.F77
export CCQUADS=$TMPDIR/$JOB.F78
export QUADSVO=$TMPDIR/$JOB.F79
export EOMSTAR=$TMPDIR/$JOB.F80
export EOMVEC1=$TMPDIR/$JOB.F81
export EOMVEC2=$TMPDIR/$JOB.F82
export  EOMHC1=$TMPDIR/$JOB.F83
export  EOMHC2=$TMPDIR/$JOB.F84
export EOMHHHH=$TMPDIR/$JOB.F85
export EOMPPPP=$TMPDIR/$JOB.F86
export EOMRAMP=$TMPDIR/$JOB.F87
export EOMRTMP=$TMPDIR/$JOB.F88
export EOMDG12=$TMPDIR/$JOB.F89
export    MMPP=$TMPDIR/$JOB.F90
export   MMHPP=$TMPDIR/$JOB.F91
export MMCIVEC=$TMPDIR/$JOB.F92
export MMCIVC1=$TMPDIR/$JOB.F93
export MMCIITR=$TMPDIR/$JOB.F94
export  EOMVL1=$TMPDIR/$JOB.F95
export  EOMVL2=$TMPDIR/$JOB.F96
export EOMLVEC=$TMPDIR/$JOB.F97
export  EOMHL1=$TMPDIR/$JOB.F98
export  EOMHL2=$TMPDIR/$JOB.F99
export  CCVVVV=$TMPDIR/$JOB.F80
#
#    Next files are used only during open shell coupled cluster runs.
#
export AMPROCC=$TMPDIR/$JOB.F70
export ITOPNCC=$TMPDIR/$JOB.F71
export FOCKMTX=$TMPDIR/$JOB.F72
export  LAMB23=$TMPDIR/$JOB.F73
export   VHHAA=$TMPDIR/$JOB.F74
export   VHHBB=$TMPDIR/$JOB.F75
export   VHHAB=$TMPDIR/$JOB.F76
export    VMAA=$TMPDIR/$JOB.F77
export    VMBB=$TMPDIR/$JOB.F78
export    VMAB=$TMPDIR/$JOB.F79
export    VMBA=$TMPDIR/$JOB.F80
export  VHPRAA=$TMPDIR/$JOB.F81
export  VHPRBB=$TMPDIR/$JOB.F82
export  VHPRAB=$TMPDIR/$JOB.F83
export  VHPLAA=$TMPDIR/$JOB.F84
export  VHPLBB=$TMPDIR/$JOB.F85
export  VHPLAB=$TMPDIR/$JOB.F86
export  VHPLBA=$TMPDIR/$JOB.F87
export    VEAA=$TMPDIR/$JOB.F88
export    VEBB=$TMPDIR/$JOB.F89
export    VEAB=$TMPDIR/$JOB.F90
export    VEBA=$TMPDIR/$JOB.F91
export   VPPPP=$TMPDIR/$JOB.F92
export INTERM1=$TMPDIR/$JOB.F93
export INTERM2=$TMPDIR/$JOB.F94
export INTERM3=$TMPDIR/$JOB.F95
export ITSPACE=$TMPDIR/$JOB.F96
export INSTART=$TMPDIR/$JOB.F97
export  ITSPC3=$TMPDIR/$JOB.F98
#
#    Next files are used only during elongation method runs.
#    Display the numerous definitions iff they are going to be used.
elgtyp=`grep -i NELONG= $JOB.F05 | wc -l`
if [ "$elgtyp" -gt 0 ]; then
    ELGNAME=$4
    if [ -z "$4" ]; then
        ELGNAME=ELGFILE
    fi
    export AOINTS=$TMPDIR/$ELGNAME.F08
    export ELGDOS=$CUSTOM_TMPDIR/$JOB.ldos
    export ELGDAT=$TMPDIR/$ELGNAME.F71
    export ELGPAR=$TMPDIR/$ELGNAME.F72
    export ELGCUT=$TMPDIR/$ELGNAME.F74
    export ELGVEC=$TMPDIR/$ELGNAME.F75
    export EGINTA=$TMPDIR/$ELGNAME.F77
    export EGINTB=$TMPDIR/$ELGNAME.F78
    export EGTDHF=$TMPDIR/$ELGNAME.F79
    export EGTEST=$TMPDIR/$ELGNAME.F80
fi
#
#    Next files are used only during extended TDHF package runs.
#    Display the numerous definitions iff they are going to be used.
export  OLI201=$TMPDIR/$JOB.F201
export  OLI202=$TMPDIR/$JOB.F202
export  OLI203=$TMPDIR/$JOB.F203
export  OLI204=$TMPDIR/$JOB.F204
export  OLI205=$TMPDIR/$JOB.F205
export  OLI206=$TMPDIR/$JOB.F206
export  OLI207=$TMPDIR/$JOB.F207
export  OLI208=$TMPDIR/$JOB.F208
export  OLI209=$TMPDIR/$JOB.F209
export  OLI210=$TMPDIR/$JOB.F210
export  OLI211=$TMPDIR/$JOB.F211
export  OLI212=$TMPDIR/$JOB.F212
export  OLI213=$TMPDIR/$JOB.F213
export  OLI214=$TMPDIR/$JOB.F214
export  OLI215=$TMPDIR/$JOB.F215
export  OLI216=$TMPDIR/$JOB.F216
export  OLI217=$TMPDIR/$JOB.F217
export  OLI218=$TMPDIR/$JOB.F218
export  OLI219=$TMPDIR/$JOB.F219
export  OLI220=$TMPDIR/$JOB.F220
export  OLI221=$TMPDIR/$JOB.F221
export  OLI222=$TMPDIR/$JOB.F222
export  OLI223=$TMPDIR/$JOB.F223
export  OLI224=$TMPDIR/$JOB.F224
export  OLI225=$TMPDIR/$JOB.F225
export  OLI226=$TMPDIR/$JOB.F226
export  OLI227=$TMPDIR/$JOB.F227
export  OLI228=$TMPDIR/$JOB.F228
export  OLI229=$TMPDIR/$JOB.F229
export  OLI230=$TMPDIR/$JOB.F230
export  OLI231=$TMPDIR/$JOB.F231
export  OLI232=$TMPDIR/$JOB.F232
export  OLI233=$TMPDIR/$JOB.F233
export  OLI234=$TMPDIR/$JOB.F234
export  OLI235=$TMPDIR/$JOB.F235
export  OLI236=$TMPDIR/$JOB.F236
export  OLI237=$TMPDIR/$JOB.F237
export  OLI238=$TMPDIR/$JOB.F238
export  OLI239=$TMPDIR/$JOB.F239

#    Next files are used only during divide-and-conquer runs
export   DCSUB=$TMPDIR/$JOB.F250
export   DCVEC=$TMPDIR/$JOB.F251
export   DCEIG=$TMPDIR/$JOB.F252
export   DCDM=$TMPDIR/$JOB.F253
export   DCDMO=$TMPDIR/$JOB.F254
export   DCQ=$TMPDIR/$JOB.F255
export   DCW=$TMPDIR/$JOB.F256
export   DCEDM=$TMPDIR/$JOB.F257

#    Next files are used only during LMO hyperpolarizability analysis
export LHYPWRK=$TMPDIR/$JOB.F297
export LHYPWK2=$TMPDIR/$JOB.F298
export BONDDPF=$TMPDIR/$JOB.F299

#    Next value is used only within the VB2000 add-on code
export GMSJOBNAME $JOB