aselimov/cacmb
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

First attempts at figuring out the element format for lammpscac

Browse source
This commit is contained in:
Alex Selimov 2019-11-29 22:23:22 -05:00
parent 54aa50b605
commit c1150ae4b1
2 changed files with 49 additions and 11 deletions
Download patch file Download diff file Expand all files Collapse all files

14
src/io.f90
View file

@ -8,6 +8,7 @@ module io
integer :: outfilenum = 0, infilenum = 0
character(len=100) :: outfiles(10), infiles(10)
logical lmpcac
public
contains
@ -57,7 +58,12 @@ module io
cycle
end if
select case(temp_outfile(scan(temp_outfile,'.',.true.)+1:))
case('xyz','lmp','vtk','cac')
case('xyz','lmp','vtk')
outfilenum=outfilenum+1
outfiles(outfilenum) = temp_outfile
exit
case('cac')
lmpcac = .true.
outfilenum=outfilenum+1
outfiles(outfilenum) = temp_outfile
exit
@ -98,18 +104,18 @@ module io
cycle
end if
if (scan(temp_outfile,'.',.true.) == 0) then
if (scan(temp_infile,'.',.true.) == 0) then
print *, "No extension included on filename, please type a full filename that includes an extension."
read(*,*) temp_infile
cycle
end if
select case(temp_outfile(scan(temp_outfile,'.',.true.)+1:))
select case(temp_infile(scan(temp_infile,'.',.true.)+1:))
case('cac')
infilenum=infilenum+1
infiles(infilenum) = temp_infile
exit
case default
print *, "File type: ", trim(temp_infile(scan(temp_outfile,'.',.true.):)), " not currently accepted. ", &
print *, "File type: ", trim(temp_infile(scan(temp_infile,'.',.true.):)), " not currently accepted. ", &
"please input a filename with extension from following list: cac."
read(*,*) temp_infile