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Document spherical sharp
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doc/users/input.rst

Lines changed: 8 additions & 4 deletions
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@@ -329,7 +329,7 @@ while the Green's function outside might vary.
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Which Green's function characterizes the medium.
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* **Type**: string
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* **Valid values**: Vacuum | UniformDielectric | SphericalDiffuse
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* **Valid values**: Vacuum | UniformDielectric | SphericalDiffuse | SphericalSharp
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* **Default**: Vacuum
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Der
@@ -376,35 +376,39 @@ while the Green's function outside might vary.
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* **Type**: double
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* **Valid values**: :math:`\varepsilon \geq 1.0`
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* **Valid for**: SphericalDiffuse, SphericalSharp
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* **Default**: 1.0
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EpsDyn1
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Dynamic dielectric permittivity inside the interface
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* **Type**: double
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* **Valid values**: :math:`\varepsilon \geq 1.0`
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* **Valid for**: SphericalDiffuse, SphericalSharp
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* **Default**: 1.0
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Eps2
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Static dielectric permittivity outside the interface
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* **Type**: double
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* **Valid values**: :math:`\varepsilon \geq 1.0`
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* **Valid for**: SphericalDiffuse, SphericalSharp
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* **Default**: 1.0
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EpsDyn2
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Dynamic dielectric permittivity outside the interface
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* **Type**: double
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* **Valid values**: :math:`\varepsilon \geq 1.0`
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* **Valid for**: SphericalDiffuse, SphericalSharp
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* **Default**: 1.0
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Center
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Center of the interface layer. This corresponds to the radius
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of the spherical droplet.
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* **Type**: double
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* **Valid for**: SphericalDiffuse
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* **Valid for**: SphericalDiffuse, SphericalSharp
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* **Default**: 100.0 a.u.
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Width
@@ -423,15 +427,15 @@ while the Green's function outside might vary.
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Center of the spherical droplet
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* **Type**: array of doubles
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* **Valid for**: SphericalDiffuse
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* **Valid for**: SphericalDiffuse, SphericalSharp
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* **Default**: :math:`[0.0, 0.0, 0.0]`
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MaxL
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Maximum value of the angular momentum in the expansion of the
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Green's function for the spherical diffuse Green's function
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* **Type**: integer
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* **Valid for**: SphericalDiffuse
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* **Valid for**: SphericalDiffuse, SphericalSharp
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* **Default**: 30
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Molecule section keywords

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