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
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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.