Declares utility functions used in the domain decomposition module.
- Author
- Berk Hess hess@.nosp@m.kth..nosp@m.se
|
char | dim2char (int dim) |
| Returns the character, x/y/z, corresponding to dimension dim.
|
|
void | make_tric_corr_matrix (int npbcdim, const matrix box, matrix tcm) |
| Sets matrix to convert from Cartesian to lattice coordinates.
|
|
void | check_screw_box (const matrix box) |
| Ensure box obeys the screw restrictions, fatal error if not.
|
|
void | dd_resize_atominfo_and_state (t_forcerec *fr, t_state *state, const int numAtoms) |
| Ensure fr and state can hold numAtoms atoms. More...
|
|