There are many special cases for handling a valence minimal basis like:
|
if(index(method,'vmb').ne.0) then |
|
write(*,'(a)') 'VMB basis has ECPs. Adjusting electrons' |
And the HFvmb
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HFvmb(apar),HFminisd(apar),oldHFsvp(apar),HFpobtz(apar),HFpobdzvp(apar),& |
and BASvmb
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BASsvp(apar),BASvmb(apar),BASminisd(apar),oldBASsvp(apar),BASpobtz(apar),BASpobdzvp(apar),& |
are declared and initialized, however there is no possibility to actually load these parameters as there is no matching case statement.
There are many special cases for handling a valence minimal basis like:
gcp/src/gcp.f90
Lines 242 to 243 in bae24c6
And the HFvmb
gcp/src/gcp.f90
Line 901 in bae24c6
and BASvmb
gcp/src/gcp.f90
Line 905 in bae24c6
are declared and initialized, however there is no possibility to actually load these parameters as there is no matching case statement.