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Merge branch 'ft--opt-dislloop' into development

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Alex Selimov 2020-01-13 20:24:15 -05:00
commit c89b7d3b59
11 changed files with 788 additions and 35 deletions
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17
src/mode_create.f90
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@ -199,20 +199,7 @@ module mode_create
call get_command_argument(arg_pos, orient_string, arglen)
if (arglen==0) STOP "Missing orientation in orient command of mode create"
arg_pos = arg_pos+1
ori_pos=2
do j = 1,3
if (orient_string(ori_pos:ori_pos) == '-') then
ori_pos = ori_pos + 1
read(orient_string(ori_pos:ori_pos), *, iostat=stat) orient(i,j)
if (stat>0) STOP "Error reading orient value"
orient(i,j) = -orient(i,j)
ori_pos = ori_pos + 1
else
read(orient_string(ori_pos:ori_pos), *, iostat=stat) orient(i,j)
if(stat>0) STOP "Error reading orient value"
ori_pos=ori_pos + 1
end if
end do
call parse_ori_vec(orient_string, orient(i,:))
end do
@ -243,10 +230,10 @@ module mode_create
case default
!If it isn't an option then you have to exit
arg_pos = arg_pos -1
exit
end select
end do
!Calculate the lattice periodicity length in lattice units
do i = 1, 3
lattice_space(i) = norm2(orient(i,:))