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use vector_class |
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use simulation |
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use status |
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+ |
use interpolation |
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#ifdef IS_MPI |
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use mpiSimulation |
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#endif |
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double precision, external :: derfc |
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#endif |
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|
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< |
public :: setElectrostaticSumMethod |
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> |
public :: setElectrostaticSummationMethod |
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public :: setScreeningMethod |
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public :: setElectrostaticCutoffRadius |
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public :: setDampingAlpha |
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public :: setReactionFieldDielectric |
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+ |
public :: buildElectroSplines |
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public :: newElectrostaticType |
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public :: setCharge |
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public :: setDipoleMoment |
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public :: self_self |
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public :: rf_self_excludes |
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|
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+ |
|
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type :: Electrostatic |
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integer :: c_ident |
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logical :: is_Charge = .false. |
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|
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contains |
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|
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< |
subroutine setElectrostaticSumMethod(the_ESM) |
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> |
subroutine setElectrostaticSummationMethod(the_ESM) |
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integer, intent(in) :: the_ESM |
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|
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if ((the_ESM .le. 0) .or. (the_ESM .gt. REACTION_FIELD)) then |
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< |
call handleError("setElectrostaticSumMethod", "Unsupported Summation Method") |
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> |
call handleError("setElectrostaticSummationMethod", "Unsupported Summation Method") |
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endif |
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|
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summationMethod = the_ESM |
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|
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< |
end subroutine setElectrostaticSumMethod |
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> |
end subroutine setElectrostaticSummationMethod |
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|
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subroutine setScreeningMethod(the_SM) |
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integer, intent(in) :: the_SM |
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haveDielectric = .true. |
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end subroutine setReactionFieldDielectric |
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|
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+ |
subroutine buildElectroSplines() |
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+ |
end subroutine buildElectroSplines |
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+ |
|
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subroutine newElectrostaticType(c_ident, is_Charge, is_Dipole, & |
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is_SplitDipole, is_Quadrupole, is_Tap, status) |
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|
