From 516b2f5a125e209b5b66bbe4b54bed0c47d164ae Mon Sep 17 00:00:00 2001 From: edoapra Date: Tue, 26 Aug 2025 14:26:10 -0700 Subject: [PATCH] KS model on when using SES cavity --- src/solvation/cosmo_input.F | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/solvation/cosmo_input.F b/src/solvation/cosmo_input.F index a5d2697e25..4d9cfee4eb 100644 --- a/src/solvation/cosmo_input.F +++ b/src/solvation/cosmo_input.F @@ -378,6 +378,8 @@ c cosmo_cavity = COSMO_CAVITY_VDW else if (inp_compare(.false.,'ses',token)) then cosmo_cavity = COSMO_CAVITY_SES +c use KS model by default when using SES cavity + do_cosmo_model=DO_COSMO_KS else write(luout,*)"invalid option for CAVITY, valid options are:" write(luout,*)"- VDW for a van der Waals cavity"