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gmx_cmapdata_t Struct Reference

#include <gromacs/topology/idef.h>

Description

CMAP data for a single grid.

Public Attributes

std::vector< real > cmap
 

Member Data Documentation

std::vector<real> gmx_cmapdata_t::cmap

Has length $4 \times grid\_spacing \times grid\_spacing$, there are 4 entries for each CMAP type $(V, dV dx, dV dy, d^2 dV dx dy)$

The documentation for this struct was generated from the following file:
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