From dd6d888afc1ffc5d4c694b59f72da1071ada8df4 Mon Sep 17 00:00:00 2001
From: Ty Balduf <35307473+TyBalduf@users.noreply.github.com>
Date: Thu, 16 Jan 2025 12:41:44 -0500
Subject: [PATCH] Make radtype have default (#8)

This is mentioned in the README. Resolves
https://github.com/grimme-lab/DRACO/issues/7
---
 app/main.f90 | 9 ++++-----
 1 file changed, 4 insertions(+), 5 deletions(-)

diff --git a/app/main.f90 b/app/main.f90
index 66ccd67..ba82028 100644
--- a/app/main.f90
+++ b/app/main.f90
@@ -182,11 +182,6 @@ subroutine get_arguments(config, error)
          call fatal_error(error, "No solvent specified, use --solvent <solvent name>.")
          return
       end if
-      
-      if (.not. allocated(config%radtype)) then
-         call fatal_error(error, "No radii type specified, use --radii [cpcm, smd, cosmo].")
-         return
-      end if
 
       call set_defaults(config)
 
@@ -200,6 +195,10 @@ subroutine set_defaults(config)
          config%qmodel = "ceh"
       end if
 
+      if (.not. allocated(config%radtype)) then
+         config%radtype = "cpcm"
+      end if
+
    end subroutine set_defaults
 
    subroutine check_terminate(err)