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Make LocalTopologyChecker class and hide implementation details
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
update_vv.cpp
2021-06-07
Mark Abraham
Make LocalTopologyChecker class and hide implementation...
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2021-05-27
Mark Abraham
Move the code of what will later implement LocalTopolog...
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2021-05-19
ejjordan
Make TrotterSequence enum class
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2021-05-19
Joe Jordan
Clean up some headers in mdlib
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-05-05
Joe Jordan
Remove mdatoms from coupling code and use more ArrayRef
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2021-04-21
ejjordan
Finish removing t_mdatoms from update module
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2021-04-21
Joe Jordan
Mostly remove t_mdatoms from update signatures
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2021-04-14
Paul Bauer
Modernize wallcycle counting
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2021-03-30
Mark Abraham
Move responsibility for checking bondeds in reverse...
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2021-03-19
Paul Bauer
Bulk change to const ref for mtop
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2021-02-26
Joe Jordan
Only use const ref for mtop and inputrec in domdec
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2021-02-22
Paul Bauer
Refactor md_enums
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2021-02-12
Mark Abraham
Merge branch release-2021 into master
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2021-02-09
Pascal Merz
Re-fix md-vv Trotter kinetic energy and temperature
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2021-01-29
Artem Zhmurov
Rmove dependency on Constraints object from compute_glo...
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2021-01-29
Mark Abraham
Merge branch release-2021
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2021-01-12
Pascal Merz
Make inputrec const at simulator level (leaves some...
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2020-12-18
Mark Abraham
Merge branch release-2021
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2020-12-16
M. Eric Irrgang
Apply re-formatting to C++ in src/ tree.
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2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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2020-11-23
Artem Zhmurov
Separate VV first and second steps from MD loop
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