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Merge bcc to development branch

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This commit is contained in:
Alex Selimov 2020-07-06 16:17:55 -04:00
commit 8d939ed942
3 changed files with 61 additions and 12 deletions
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src/io.f90
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@ -161,8 +161,10 @@ module io
!Calculate total atom number
write_num = atom_num
do i = 1,ele_num
if(type_ele(i) == 'fcc') write_num = write_num + basisnum(lat_ele(i))*size_ele(i)**3
if(type_ele(i) == 'fcc') write_num = write_num + size_ele(i)**3
if(type_ele(i) == 'bcc') write_num = write_num + size_ele(i)**3
end do
!Write total number of atoms + elements
write(11, '(i16, a)') write_num, ' atoms'
!Write number of atom types
@ -339,6 +341,7 @@ module io
end do
close(11)
!Now we write the vtk file for the elements
open(unit=11, file='cg_'//trim(adjustl(file)), action='write', status='replace',position='rewind')
write(11,1)
write(11,2)
@ -357,6 +360,7 @@ module io
write(11,5) ele_num
do i = 1, ele_num
if(trim(adjustl(type_ele(i))) == 'fcc') write(11, '(i16)') 12
if(trim(adjustl(type_ele(i))) == 'bcc') write(11, '(i16)') 12
end do
write(11,12) ele_num
write(11,20)