Module: crystdistrib
| Description | Usage |
|---|---|
| Information about the module | |
| Authors: Jake McKibbin, Gareth Tribello and Erik Santiso |   |
Details
Actions
The following actions are part of this module
| Name | Description |
|---|---|
| BOPS | Calculate Bond orientational order parameters for molecules. |
| DOPS | Calculate DOPS order parameter for molecules. |
| QUATERNION | Calculate unit quaternions for molecules. |
| QUATERNION_BOND_PRODUCT_MATRIX | Calculate the product between a matrix of quaternions and the bonds connecting molecules |
| QUATERNION_PRODUCT_MATRIX | Calculate the outer product matrix from two vectors of quaternions |
| ROPS | Calculate the ROPS order parameter |