From e4f9075217b41bcd32e60af93c0cfb558c051b9e Mon Sep 17 00:00:00 2001 From: edoapra Date: Mon, 6 Oct 2025 17:40:03 -0700 Subject: [PATCH] write when potcorr=t --- src/solvation/cosmo_initialize.F | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/src/solvation/cosmo_initialize.F b/src/solvation/cosmo_initialize.F index aa5d218e67..1dc0e794b9 100644 --- a/src/solvation/cosmo_initialize.F +++ b/src/solvation/cosmo_initialize.F @@ -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')