| 4 |
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#ifdef MPI |
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use mpiSimulation |
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#endif |
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+ |
PRIVATE |
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| 9 |
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logical, save :: EAM_FF_initialized = .false. |
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+ |
integer, save :: EAM_Mixing_Policy |
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+ |
integer, save :: EAM_rcut |
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+ |
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+ |
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!! standard eam stuff |
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integer :: n_eam_atypes |
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integer, allocatable, dimension(:) :: eam_atype |
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real( kind = DP ), allocatable, dimension(:,:) :: eam_phi_r_pp |
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< |
real( kind = DP ), private :: time0,time1,time2,time3 |
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< |
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| 41 |
< |
integer, private :: eam_err |
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> |
public :: init_EAM_FF |
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> |
public :: EAM_new_rcut |
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> |
public :: do_EAM_pair |
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– |
private :: mass_weight |
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private :: allocate_eam_atype,allocate_eam_module,deallocate_eam_module |
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private :: read_eam_pot, get_eam_sizes |
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| 44 |
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| 45 |
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contains |
| 46 |
< |
subroutine initialize_eam() |
| 46 |
> |
subroutine init_EAM_FF() |
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| 49 |
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