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KS model on when using SES cavity

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edoapra 2025-08-26 14:26:10 -07:00
parent fcf2977bd0
commit 516b2f5a12
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src/solvation/cosmo_input.F
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@ -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"