Clarify confusing message printed during CS construction
Suggested print
Something symmetry:
Spacegroup: Fm-3m (225)
Unique atoms: 1
Operations: 48
symprec: 1e-5
Primitive cell:
Formula: Al32Si16
cell:
[0.99478054, 0.80553754, 0.23308883]
[0.44572314, 0.3177319 , 0.76013016]
[0.30828487, 0.58362772, 0.87652541]
basis:
Si []
Al []
...
Si []
Cutoffs:
Maximum cutoff: 5.0
Cutoff matrix:
Found 1 center atom with 42 images totaling 43 atoms in 18 primitive cells
Clusters: 4h 2m 10s
Total number of clusters: 523
Orbits: 18h 22m 10s
Number of orbits table:
| body\order |__2__| 3 | 4 | 5 | sum |
| 1 | - | - | - | - | - |
| 2 | 123 | 123 | 123 | 123 | 456 |
| 3 | - | 123 | 123 | 123 | 8234 |
Alternative formatting:
╔════════════╦═════╦═════╦═════╦═════╦══════╗
║ body\order ║ 2 ║ 3 ║ 4 ║ 5 ║ Sum ║
╠════════════╬═════╬═════╬═════╬═════╬══════╣
║ 1 ║ 24 ║ 23 ║ 28 ║ 59 ║ 69 ║
╠════════════╬═════╬═════╬═════╬═════╬══════╣
║ 2 ║ 123 ║ 123 ║ 123 ║ 123 ║ 456 ║
╠════════════╬═════╬═════╬═════╬═════╬══════╣
║ 3 ║ - ║ 123 ║ 123 ║ 123 ║ 8234 ║
╚════════════╩═════╩═════╩═════╩═════╩══════╝
Second alternative formatting:
body\order 2 3 4 5 Sum
----------- ----- ----- ----- ----- -----
1 24 23 28 59 69
2 123 123 123 123 456
3 - 123 123 123 8234
Total number of orbits: 4123
Eigentensors:
{2: 10, 3: 92}
Total parameters: 456
Dropped orbits due to symmetry: [(0,0,0), (0,0,0,0,0)]
Constraints:
acoustic: True
{2: 44, 3: 102}
Total number of parameters: 94 degrees of freedom
Edited by Paul Erhart