Closed arthbous closed 7 years ago
It's working!!
The magnitude of the velocity increases when the voltage drop increases. I will do more tests to see what is the max voltage drop the code can handle.
@maximilianmetti , I am thinking of doing the Na+Cl physical constants, what do you think? @maximilianmetti , you can do some tests on just PNP with small epsilons and EAFE.
I think Na+Cl in water should be good. Maybe set the reference density to that of the PNP + Steric Effects paper and have the length scale be 100nm?
I'll pull this branch and test with small epsilon too. (Equivalently, setting the scale to be 10microns or something.)
// For L = 10 nm, T = 298K
std::map<std::string, std::vector
But that when the box is 1x1x1, when we do PNP the box is 10x1x1 does that mean we should deviede Epsilon by 10 when we do PNP?
Just change the size of the box. L should be the same and that means that eps is unchanged.
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On Jul 27, 2017, at 2:31 PM, Arthur Bousquet notifications@github.com wrote:
// For L = 10 nm, T = 298K std::map<std::string, std::vector> coefficients = { {"permittivity", {0.019044}}, {"diffusivity0", {1.0}}, {"diffusivity1", {1.334/2.032}}, {"valency0", {1.0}}, {"valency1", {-1.0}},}
But that when the box is 1x1x1, when we do PNP the box is 10x1x1 does that mean we should deviede Epsilon by 10 when we do PNP?
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