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(parent: 760a0e5) | patch
Make legacy energy elements use CheckpointData
authorPascal Merz <pascal.merz@me.com>
Tue, 8 Sep 2020 13:20:07 +0000 (13:20 +0000)
committerPaul Bauer <paul.bauer.q@gmail.com>
Tue, 8 Sep 2020 13:20:07 +0000 (13:20 +0000)
commitf7ee824f836e29bdc2833a01c1037aebf6db2696
tree9bfb774987b0750249191736c2ae29aea1c2d9eftree | snapshot
parent760a0e5257e6d5b781f8372de0c8aec74e3978eecommit | diff
Make legacy energy elements use CheckpointData

This enables some legacy energy elements to write to CheckpointData,
namely

* energyhistory_t
* delta_h_history_t
* ekinstate_t

Refs #3517
Refs #3422
Refs #3419
src/gromacs/mdtypes/CMakeLists.txt diff | blob | history
src/gromacs/mdtypes/energyhistory.cpp [new file with mode: 0644] blob
src/gromacs/mdtypes/energyhistory.h diff | blob | history
src/gromacs/mdtypes/state.cpp diff | blob | history
src/gromacs/mdtypes/state.h diff | blob | history
src/gromacs/modularsimulator/modularsimulatorinterfaces.h diff | blob | history
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