Gromacs
2026.0-dev-20250217-60d5e5b
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#include "gromacs/utility/basedefinitions.h"
Declares the atom distribution function.
Functions | |
void | distributeState (const gmx::MDLogger &mdlog, gmx_domdec_t *dd, const gmx_mtop_t &mtop, t_state *state_global, const gmx_ddbox_t &ddbox, t_state *state_local) |
Distributes the state from the main rank to all DD ranks. | |
void | dd_distribute_dfhist (gmx_domdec_t *dd, df_history_t *dfhist) |
Distribute the dfhist struct from the main rank to all DD ranks. More... | |
void dd_distribute_dfhist | ( | gmx_domdec_t * | dd, |
df_history_t * | dfhist | ||
) |
Distribute the dfhist struct from the main rank to all DD ranks.
Used by the modular simulator checkpointing
dd | Domain decomposition information |
dfhist | Free energy history struct |