diff --git a/src/solvation/cosmo_input.F b/src/solvation/cosmo_input.F index b3ec3e3a7a..8f12e430e3 100644 --- a/src/solvation/cosmo_input.F +++ b/src/solvation/cosmo_input.F @@ -129,6 +129,8 @@ c do_cosmo = .true. do_cosmo_model = DO_COSMO_YK dielec =78.4d+00 ! default water dielectric + solvname_short = 'h2o' + solvname_long = 'water' cosmo_screen = COSMO_SCREEN_ST cosmo_sccor = COSMO_SCCOR_LAGRA ! surface charge correction adapted for geometry optimzations minbem =2 @@ -219,6 +221,10 @@ c else if(inp_compare(.false.,'solvent',field)) then if(.not. inp_a(solvname_short)) $ call errquit('cosmo_input: solvent',911,INPUT_ERR) + if (solvname_short.eq.'water') then + solvname_short = 'h2o' + solvname_long = 'water' + end if if (.not.rtdb_cput(rtdb,'cosmo:solvent',1,solvname_short)) $ call errquit('cosmo_input: rtdb put failed',911,RTDB_ERR) c