Quick add of boundary option and update to readme
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README.md
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README.md
@ -227,6 +227,16 @@ This command remeshes the atoms/elements within the group to the new element siz
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If this option is passed then all files are automatically overwritten without asking the user.
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If this option is passed then all files are automatically overwritten without asking the user.
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### Option boundary
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```
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-boundary box_bc
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```
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This allows the user to specify the boundary conditions for the model being outputted. The format is a 3 character string with `p` indicating periodic and `s` indicating shrink-wrapped.
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**Example:** `-boundary psp`
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## Position Specification
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## Position Specification
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Specifying positions in cacmb can be done through a variety of ways. Examples of each format is shown below.
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Specifying positions in cacmb can be done through a variety of ways. Examples of each format is shown below.
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@ -2,6 +2,7 @@ subroutine call_option(option, arg_pos)
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use parameters
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use parameters
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use opt_disl
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use opt_disl
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use opt_group
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use opt_group
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use box
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implicit none
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implicit none
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integer, intent(inout) :: arg_pos
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integer, intent(inout) :: arg_pos
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@ -18,6 +19,11 @@ subroutine call_option(option, arg_pos)
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case('-wrap')
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case('-wrap')
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arg_pos = arg_pos + 1
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arg_pos = arg_pos + 1
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continue
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continue
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case('-boundary')
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arg_pos=arg_pos+1
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call get_command_argument(arg_pos, box_bc)
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print *, box_bc
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arg_pos=arg_pos+1
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case default
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case default
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print *, 'Option ', trim(adjustl(option)), ' is not currently accepted.'
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print *, 'Option ', trim(adjustl(option)), ' is not currently accepted.'
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stop 3
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stop 3
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