| 16 |
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#define __FORTRAN90 |
| 17 |
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#include "fSimulation.h" |
| 18 |
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|
| 19 |
< |
type (simtype), public :: thisSim |
| 19 |
> |
type (simtype), public, save :: thisSim |
| 20 |
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| 21 |
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logical, save :: simulation_setup_complete = .false. |
| 22 |
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| 36 |
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public :: getDielect |
| 37 |
|
public :: SimUsesPBC |
| 38 |
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public :: SimUsesLJ |
| 39 |
+ |
public :: SimUsesCharges |
| 40 |
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public :: SimUsesDipoles |
| 41 |
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public :: SimUsesSticky |
| 42 |
|
public :: SimUsesRF |
| 143 |
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deallocate(c_idents_Row) |
| 144 |
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endif |
| 145 |
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|
| 146 |
< |
#else |
| 146 |
> |
#endif |
| 147 |
> |
|
| 148 |
> |
! We build the local atid's for both mpi and nonmpi |
| 149 |
|
do i = 1, nLocal |
| 150 |
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| 151 |
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me = getFirstMatchingElement(atypes, "c_ident", c_idents(i)) |
| 152 |
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atid(i) = me |
| 153 |
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| 154 |
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enddo |
| 152 |
– |
#endif |
| 155 |
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| 156 |
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| 157 |
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| 158 |
+ |
|
| 159 |
|
do i = 1, nExcludes_Local |
| 160 |
|
excludesLocal(1,i) = CexcludesLocal(1,i) |
| 161 |
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excludesLocal(2,i) = CexcludesLocal(2,i) |
| 209 |
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doesit = thisSim%SIM_uses_sticky |
| 210 |
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end function SimUsesSticky |
| 211 |
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|
| 212 |
+ |
function SimUsesCharges() result(doesit) |
| 213 |
+ |
logical :: doesit |
| 214 |
+ |
doesit = thisSim%SIM_uses_charges |
| 215 |
+ |
end function SimUsesCharges |
| 216 |
+ |
|
| 217 |
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function SimUsesDipoles() result(doesit) |
| 218 |
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logical :: doesit |
| 219 |
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doesit = thisSim%SIM_uses_dipoles |
