Gromacs
2025-dev-20240906-b7d3419
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#include <gromacs/applied_forces/awh/biasgrid.h>
A point in the grid.
A grid point has a coordinate value and a coordinate index of the same dimensionality as the grid. It knows the linear indices of its neighboring point (which are useful only when handed up to the grid).
Public Attributes | |
awh_dvec | coordValue |
Multidimensional coordinate value of this point. | |
awh_ivec | index |
Multidimensional point indices. | |
std::vector< int > | neighbor |
Linear point indices of the neighboring points. | |