| Revision: | 1101 |
| Committed: | Thu Dec 21 02:20:02 2006 UTC (18 years, 7 months ago) by gezelter |
| Content type: | text/plain |
| File size: | 472 byte(s) |
| Log Message: | Added a bunch of bond order parameter test cases. |
| # | Content |
|---|---|
| 1 | These are sample files used to test the bond order parameter |
| 2 | code in StaticProps. Perfect BCC, FCC, HCP, and Icosahedral |
| 3 | clusters have known analytic values for the bond order parameter |
| 4 | and the files in this directory can be used to make sure the |
| 5 | correct values are being computed. The central atom in each |
| 6 | cluster is a copper atom, so the proper way to run the tests would |
| 7 | be a command like: |
| 8 | |
| 9 | $(OOPSE_HOME)/bin/StaticProps --bo -i bcc.md --rcut=9 --sele1="select Cu" |