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chuckv |
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module dynamics |
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use parameter, ONLY : ensemble |
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use dynamics_langevin_verlet, ONLY : langevin_verlet_dynamics |
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use dynamics_nose_hoover, ONLY : nose_hoover_dynamics |
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use dynamics_velocity_verlet, ONLY : velocity_verlet_dynamics |
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use status, ONLY : info |
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implicit none |
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PRIVATE |
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public :: run_dynamics |
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contains |
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subroutine run_dynamics() |
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select case(ensemble) |
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case ('NVE') |
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call velocity_verlet_dynamics() |
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case('NVT') |
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call nose_hoover_dynamics() |
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case('langevin') |
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call langevin_verlet_dynamics() |
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case default |
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call info('DYNAMICS','Unknown ensemble') |
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return |
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end select |
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end subroutine run_dynamics |
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end module dynamics |
