29 lines
1.3 KiB
Fortran
29 lines
1.3 KiB
Fortran
MODULE keepstuff
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USE liblammps
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IMPLICIT NONE
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TYPE(LAMMPS) :: lmp
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INTEGER :: mycomm
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CHARACTER(LEN=40), DIMENSION(3), PARAMETER :: demo_input = &
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[ CHARACTER(LEN=40) :: &
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'region box block 0 $x 0 2 0 2', &
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'create_box 1 box', &
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'create_atoms 1 single 1.0 1.0 ${zpos}' ]
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CHARACTER(LEN=40), DIMENSION(3), PARAMETER :: big_input = &
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[ CHARACTER(LEN=40) :: &
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'region box block 0 $x 0 3 0 4', &
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'create_box 1 box', &
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'create_atoms 1 single 1.0 1.0 ${zpos}' ]
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CHARACTER(LEN=40), DIMENSION(2), PARAMETER :: cont_input = &
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[ CHARACTER(LEN=40) :: &
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'create_atoms 1 single &', &
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' 0.2 0.1 0.1' ]
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CHARACTER(LEN=40), DIMENSION(1), PARAMETER :: more_input = &
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[ CHARACTER(LEN=40) :: 'create_atoms 1 single 0.5 0.5 0.5' ]
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CHARACTER(LEN=40), DIMENSION(3), PARAMETER :: pair_input = &
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[ CHARACTER(LEN=40) :: &
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'pair_style lj/cut 2.5', &
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'pair_coeff 1 1 1.0 1.0', &
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'mass 1 2.0' ]
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END MODULE keepstuff
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