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write when potcorr=t

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edoapra 2025-10-06 17:40:03 -07:00
parent 747d3ce5f2
commit e4f9075217
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7
src/solvation/cosmo_initialize.F
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@ -546,6 +546,12 @@ c
else
write(Luout,9972)"*** invalid ***"
endif
c
c ----- potential correction -----
c
if(cosmo_ptcor) then
write(luout,9973)
endif
endif
c
@ -755,6 +761,7 @@ c
c
c <-- MN solvation models
c
9973 format(' charge correction applied to potential')
9972 format(' surface charge correction = ',a)
9971 format(' Cosmo: York-Karplus, doi: 10.1021/jp992097l')
9970 format(' Cosmo: Klamt-Schuurmann, doi: 10.1039/P29930000799')