Opened 12 years ago

Closed 12 years ago

#304 closed bug (wontfix)

weirdness in HPMSA fitting routine

Reported by: jeff.meth@… Owned by: srkline
Priority: major Milestone:
Component: All Components Keywords:
Cc: Blocking:
Task:

Description

I have trouble getting the HPMSA fitting function to work for higher volume loadings, near 0.10. E.g., this parameter set gives a curve:

Diameter (A) 306
Charge 1741
Volume Fraction 0.1411
Temperature(K) 298
monovalent salt conc. (M) 0
dielectric constant of solvent 37

but this parameter set crashes:

Diameter (A) 307
Charge 1741
Volume Fraction 0.1411
Temperature(K) 298
monovalent salt conc. (M) 0
dielectric constant of solvent 37

note that diameter was changed by 1 Angstrom.

Change History (1)

comment:1 Changed 12 years ago by srkline

  • Resolution set to wontfix
  • Status changed from new to closed

at terribly extreme conditions. The solution is simply a bit unstable here, and it's probably not worth trying to figure out exactly what is failing in John Hayter's code, or if it's even a valid set of conditions.

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