[Rings-code-news] Bond Info with more than 4 species

[Stefan B. <st...@em...>]

Dear Developers,

Currently I'm working on a system that contains 8 species. Most of the
analysis  done by RINGS code is  working perfectly. However, in the
*bond-prop.dat
*the "Configurations for  the X atom:" , it is only showing up to 4 atom
pairs. I think I've narrowed it down to the *LISTE_GEOMSA* array in the*
bond.F90/wbond.f90*  source code but I haven't been able to correct this
issue. Below is a more detailed example:


*Configurations for the Al atom:*

*   Si    Al    Na    O     Os    W     H     Ta*

*  0  0  0  4        135.00         91.84%*
*  0  0  0  3          7.00          4.76%*
*  0  0  0  2          2.00          1.36%*
*  0  0  0  0          1.00          0.68%*
*  0  0  0  1          2.00          1.36%*



Note: The last 4 elements are actually dummy labels, the species are Oxygen
and Hydrogen but are related to different environments (i.e. Hydroxly and
molecular water). Changing this didn't seem to help or correct the issue.

I've also  tried both version 1.2.5 and 1.2.6 and there is no difference.
Any help is much appreciated. I have cc'd my colleauge who I am working on
this with.

Thank you,
Stefan