4 |
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use definitions, only: dp |
5 |
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implicit none |
6 |
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|
7 |
+ |
integer, save :: atype_count = 0 |
8 |
+ |
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9 |
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type :: atype |
10 |
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|
11 |
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integer :: atype_ident |
12 |
< |
integer :: atom_number |
12 |
> |
integer :: atype_fortran_index |
13 |
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|
14 |
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logical :: is_LJ = .false. |
15 |
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logical :: is_DP = .false. |
23 |
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real ( kind = dp ) :: lj_sigma = 0.0_dp |
24 |
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|
25 |
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!! Dipole |
26 |
< |
real ( kind = dp ) :: dipoleMoment = 0.0_dp |
26 |
> |
real ( kind = dp ) :: dipole_moment = 0.0_dp |
27 |
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!! Sticky Potenial |
28 |
|
real ( kind = dp ) :: sticky_w0 = 0.0_dp |
29 |
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real ( kind = dp ) :: sticky_v0 = 0.0_dp |