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Initial commit with file writing and create mode working for atoms

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Alex 2019-11-25 18:19:25 -05:00
parent 624886bbe9
commit 8217e8b51c
15 changed files with 2465 additions and 271 deletions
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71
src/main.f90
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@ -1,52 +1,39 @@
program main
use precision_comm_module
!**************************** CACmb *******************************
!* CAC model building toolkit *
! ____________ *
! / / *
! / / *
! /___________/ *
! _|_ _|_ _|____________ *
! / / *
! / / *
! /___________/ *
! *
!*******************************************************************
use parameters
use elements
use lattice
use region
use io
integer :: iosline, iospara
logical :: flags(4)
character(len=100) :: line, command, errorloc
iosline = 0
iospara = 0
flags(:) = .false.
integer :: arg_num
character(len=100) :: mode
call lattice_init
!Main command loop
do while (iosline == 0)
! Command line parsing
arg_num = command_argument_count()
read(*, '(a)', iostat=iosline) line
errorloc="read_input:line"
call read_error_check(iosline, errorloc)
!Determine if a mode is being used and what it is. The first argument has to be the mode
!if a mode is being used
call get_command_argument(1, mode)
!Check for comment character (#)
if ((scan(line, '#')/= 1).and.(line/='')) then
read(line, *, iostat = iospara) command
errorloc="read_input:command"
call read_error_check(iosline, errorloc)
mode = trim(adjustl(mode))
if (mode(1:2) == '--') then
call call_mode(arg_num, mode)
end if
select case(command)
case('atom_types')
call atom_type_parse(line)
flags(1) = .true.
case('lattice')
if(flags(1).eqv..false.) then
print *, "Please define atom types before defining lattice types"
stop 3
end if
call lattice_parse(line)
flags(2) =.true.
! case('region')
! call build_region(line)
! case('write')
! call write_parse(line)
case default
print *, "The command ", trim(command), " is not currently accepted",&
" please check input script and try again."
end select
end if
end do
!Finish by writing the files
call write_out
end program main