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(parent: ba71b75) | patch
Free energy history modular checkpointing
authorPascal Merz <pascal.merz@me.com>
Tue, 17 Nov 2020 01:14:32 +0000 (18:14 -0700)
committerMark Abraham <mark.j.abraham@gmail.com>
Thu, 3 Jun 2021 11:33:22 +0000 (11:33 +0000)
commit472449ce7a867e7be0a5fcd5efbcbcf1d50efcfc
treeac615c0b02fdfba84a1cb6cd4eb5708862ddada1tree | snapshot
parentba71b7526c22715aceb36586e76f2ae58c4a2461commit | diff
Free energy history modular checkpointing

This introduces a function that allows df_history_t objects to save to
and reset from modular simulator checkpoints. This allows elements
owning such an object to easily checkpoint it.

This also introduces a helper function to create CheckpointDataOperation
dependent ArrayRefs from C arrays.
src/gromacs/mdtypes/checkpointdata.h diff | blob | history
src/gromacs/mdtypes/state.cpp diff | blob | history
src/gromacs/mdtypes/state.h diff | blob | history
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