Gromacs  2024.1
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#include "gromacs/utility/basedefinitions.h"
+ Include dependency graph for distribute.h:
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Description

Declares the atom distribution function.

Author
Berk Hess hess@.nosp@m.kth..nosp@m.se

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...
 

Function Documentation

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

Parameters
ddDomain decomposition information
dfhistFree energy history struct