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Working remesh command and remesh max command

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This commit is contained in:
Alex 2020-02-28 09:36:33 -05:00
parent 5b925122df
commit d670bb5083
2 changed files with 60 additions and 35 deletions
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17
src/io.f90
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@ -310,6 +310,9 @@ module io
20 format('SCALARS lattice_type float', /&
'LOOKUP_TABLE default')
21 format('SCALARS esize float', /&
'LOOKUP_TABLE default')
!First we write the vtk file containing the atoms
open(unit=11, file='atoms_'//trim(adjustl(file)), action='write', status='replace',position='rewind')
@ -358,6 +361,10 @@ module io
do i = 1, ele_num
write(11, '(i16)') lat_ele(i)
end do
write(11,21)
do i = 1, ele_num
write(11, '(i16)') size_ele(i)
end do
close(11)
end subroutine
@ -624,8 +631,13 @@ module io
!Read in the box boundary and grow the current active box bd
read(11, *) temp_box_bd(:)
print *, "displace", displace
do i = 1, 3
newdisplace(i) = displace(i) - temp_box_bd(2*i-1)
if (displace(i) > lim_zero) then
newdisplace(i) = displace(i) - temp_box_bd(2*i-1)
else
newdisplace=displace(i)
end if
temp_box_bd(2*i-1) = temp_box_bd(2*i-1) + newdisplace(i)
temp_box_bd(2*i) = temp_box_bd(2*i) + newdisplace(i)
end do
@ -717,7 +729,8 @@ module io
!Read the atoms
do i = 1, in_atoms
read(11,*) j, type, sbox, r(:)
call add_atom(new_type_to_type(type), sbox, r+newdisplace )
r = r+newdisplace
call add_atom(new_type_to_type(type), sbox, r)
end do
!Read the elements