compas
CFF autumn patches - update no 3 - csl short format
Implementation of @cffischer's proposed shorter and more informative format for <name>.c configuration state functions lists (CSL's). The lodcsl implementations are done by Julian Chan @julian0506.
Short explanation of the format by CFF: Basically, the new structure is by configuration, but for each configuration all the couplings are shown along with critical seniority numbers. So far, our code does not support CSFs where extra information is needed. This will be important for the g-shell which I think someone should work on with Gediminas' new rangular
If GRASP were a well designed program, changing the format for reading <name>.c would require a change of only one lod routine, but GRASP is not well designed so little changes were needed in quite a few places.
To do: We need a version of rcsfgenerate to create lists on this format right? Which SiRan @rsi103027 has made an attempt on if I understand things correctly, but with some work remaining? (something with 3f orbitals?). For now, the example below is provided in an attached zip file.
Example: 5f4 (attached to this pull request for testing purposes: csl_5f4.zip)
Core subshells:
Peel subshells:
5f- 5f
CSF(s):
5f ( 4)
0
0+
5f-( 1) 5f ( 3)
5/2 5/2
0+
5f-( 2) 5f ( 2)
0 0
0+
2 2
0+
4 4
0+
5f-( 4)
0
0+
*
5f-( 1) 5f ( 3)
5/2 7/2
1+
5/2 3/2
1+
5/2 5/2
1+
5f-( 2) 5f ( 2)
2 2
1+
4 4
1+
5f-( 3) 5f ( 1)
5/2 7/2
1+
9/2 7/2
1+
...
..
.
