CSRCSBEND with FSE_CORRECTION setting not allowed?

Moderators: cyao, michael_borland

Post Reply
WilliamLou
Posts: 4
Joined: 18 Apr 2019, 07:41

CSRCSBEND with FSE_CORRECTION setting not allowed?

Post by WilliamLou » 08 Sep 2020, 12:27

Dear Elegant developer(s):

I was reading the documentation of CSRCSBEND and thought that all the setting of CSBEND can still be used.
However, when I have FSE_CORRECTION, the program complains:

"Error: unknown parameter FSE_CORRECTION used for BCX12 CSRCSBEND (parse_element)"

I wonder why? Does FSE_CORRECTION hinder CSR calculation in some way?

Thanks

michael_borland
Posts: 1933
Joined: 19 May 2008, 09:33
Location: Argonne National Laboratory
Contact:

Re: CSRCSBEND with FSE_CORRECTION setting not allowed?

Post by michael_borland » 14 Sep 2020, 21:42

There's no problem in principle with including FSE correction for CSRCSBEND. It's just a little complicated to code it.

It's possible to do this by hand using the optimizer to adjust the FSE parameter in order to minimize the centroids (Cx and Cxp).

I'll look into adding the feature.

--Michael

Post Reply