molsym.salcs.salc_tools
Functions
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Use molecular symmetry to generate + displacements from - displacements for quantities that transform as vectors (dipoles) or sets of atomic vectors (gradients). |
|
Test a SALC for +/- displacement equivalence. |
Functions
|
Use molecular symmetry to generate + displacements from - displacements for quantities that transform as vectors (dipoles) or sets of atomic vectors (gradients). |
|
Test a SALC for +/- displacement equivalence. |