Backflow term omega hinders optimization

[Vladimir_Konjkov]

The latest version in which the omega term was announced:

---[v2.13.1225]---
* Implemented three-electron backflow term omega
-- Clio, 2025-11-19

It is an explicit three-electron correlation function in the same style as the
eta term. cutoff lengths are separately optimisable and parameters are
considered equal between any two particles in a triplet that share a spin
pair.

returns an error when optimizing the test input.

For exampe:
CASINO/examples/TEST/Input/neon_atom/varmin_bfonly

returns varmin_bfonly.tgz

Also, the format of the section is incorrect in the documentation: Spin dep accepts only two values: 1--2.

Code: Select all

START OMEGA TERM
Expansion order
2
Spin dep (0->uu=dd=ud; 1->uu=dd/=ud; 2->uu/=dd/=ud)
1
Cut-off radius ;
 Optimizable (0=NO; 1=YES)
0.d0
 0
Parameter ;
 Optimizable (0=NO; 1=YES)
END OMEGA TERM

Best wishes Vladimir.

[Neil Drummond]

Dear Vladimir,

Thanks for your message.  Clio Johnson (who wrote the 3-body backflow term) is fixing the issue.

Best wishes,

Neil.