Re: Gradient in cylindrical coordinates

2018-01-08 Thread Daniel Wheeler
Also, note that the "leastSquaresGrad" doesn't have this issue: https://gist.github.com/wd15/fc34ccb2e57602fc6f9bea96d8160f4a#file-untitled-ipynb See, https://www.ctcms.nist.gov/fipy/fipy/generated/fipy.variables.html#fipy.variables.cellVariable.CellVariable.leastSquaresGrad On Mon, Jan 8,

Re: Gradient in cylindrical coordinates

2018-01-08 Thread Daniel Wheeler
Hi Leyton, I think there is an error in FiPy when calculating gradients with cylindrical grids. FiPy assumes that the cylindrical faces don't count towards the face contributions, but they do. It needs to be fixed. It results in a systematic error of "phi / r". I'll try and fix this in the near

Re: Compute total free energy of a system

2018-01-08 Thread Anders Ericsson
Thanks to both of you, I will try it! Regards, Anders From: fipy-boun...@nist.gov on behalf of Guyer, Jonathan E. Dr. (Fed) Sent: Thursday, January 4, 2018 6:01:05 PM To: FIPY Subject: Re: Compute total free