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basefile.f90
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basefile.f90
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
! CARACAL - Ring polymer molecular dynamics and rate constant calculations
! on black-box generated potential energy surfaces
!
! Copyright (c) 2023 by Julien Steffen ([email protected])
! Stefan Grimme ([email protected]) (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
! the rights to use, copy, modify, merge, publish, distribute, sublicense,
! and/or sell copies of the Software, and to permit persons to whom the
! 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
! THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
! LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
! FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
! DEALINGS IN THE SOFTWARE.
!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!
! subroutine basefile: extracts directory name and base filename
! from input filename
!
! part of EVB
!
subroutine basefile (string)
use general
implicit none
integer::i,k,trimtext
character(len=1)::letter
character(len=120)::string
!
! store the input filename and find its full length
!
filename = string
leng = trimtext (string)
!
! count the number of characters prior to any extension
!
k = leng
do i = 1, leng
letter = string(i:i)
if (letter .eq. '/') k = leng
if (ichar(letter) .eq. backslash) k = leng
if (letter .eq. ']') k = leng
if (letter .eq. ':') k = leng
if (letter .eq. '~') k = leng
if (letter .eq. '.') k = i - 1
end do
leng = min(leng,k)
!
! find the length of any directory name prefix
!
k = 0
do i = leng, 1, -1
letter = string(i:i)
if (letter .eq. '/') k = i
if (ichar(letter) .eq. backslash) k = i
if (letter .eq. ']') k = i
if (letter .eq. ':') k = i
if (letter .eq. '~') k = i
if (k .ne. 0) exit
end do
ldir = k
!
! read and store the keywords from the keyfile
!
call getkey(0)
!
! get the information level and output style
!
!call control --> not needed here?
return
end subroutine basefile