checktype.f90

!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
!   CARACAL - Ring polymer molecular dynamics and rate constant calculations
!             on black-box generated potential energy surfaces
!
!   Copyright (c) 2023 by Julien Steffen (mail@j-steffen.org)
!                         Stefan Grimme (grimme@thch.uni-bonn.de) (QMDFF code)
!
!   Permission is hereby granted, free of charge, to any person obtaining a
!   copy of this software and associated documentation files (the "Software"),
!   to deal in the Software without restriction, including without limitation
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!   Software is furnished to do so, subject to the following conditions:
!
!   The above copyright notice and this permission notice shall be included in
!   all copies or substantial portions of the Software.
!
!   THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
!   IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
!   FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL
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!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

!
!     subroutine checktype: this checks the type of the string and 
!     returns it cast to real or as string.
!
!     part of QMDFF
!
subroutine checktype(field,num,str,ty)
implicit none
character(len=128)::field,str
real(kind=8)::num
integer::i,e,ty
logical::is_num

ty=99
str=''
is_num=.false.
!
!     cast string on real and get error code; 0 means success.
!
read(field,'(F10.5)',IOSTAT=e) num 
if(e.eq.0)is_num=.true.
if (is_num) then
!
!     check for integer/real
!
   if (index(field,'.').ne.0) then  
      read(field,'(F20.10)')num
      ty=0
!
!     if integer, add .0 to string; otherwise cast to real does not work
!
   else                      
      str=trim(field)//'.0'
      read(str,'(F20.10)')num
      str=''
      ty=0
   end if
else
   str=field
   ty=1
end if

return
end subroutine checktype