◆ SVPESolver()
SVPESolver::SVPESolver |
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World & |
world, |
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double |
sigma, |
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double |
epsilon_0, |
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double |
epsilon_1, |
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const vector_real & |
atomic_radii, |
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const vector_coord_3d & |
atomic_coords, |
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const double |
minlen |
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◆ make_surface_charge()
Given the full Coulomb potential computes the surface charge.
References u().
Referenced by main().
◆ solve()
Solve for the full Coulomb potential using the free-particle GF.
References madness::Function< T, NDIM >::clear(), e(), max, madness::norm2(), op(), madness::print(), thresh, madness::Function< T, NDIM >::trace(), madness::Function< T, NDIM >::truncate(), madness::truncate(), u(), madness::NonlinearSolverND< NDIM >::update(), and madness::wall_time().
Referenced by main().
◆ dlog
◆ epsilon_0
const double SVPESolver::epsilon_0 |
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◆ epsilon_1
const double SVPESolver::epsilon_1 |
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◆ minlen
const double SVPESolver::minlen |
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◆ op
◆ rdielectric
◆ sigma
const double SVPESolver::sigma |
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◆ thresh
const double SVPESolver::thresh |
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The documentation for this class was generated from the following file: