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Use const ref to mtop in init_forcerec
2021-02-17 ejjordanUse const ref to mtop in init_forcerec
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2021-02-16 Joe JordanUse const ref to inputrec in do_force
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2021-02-11 Joe JordanUse unique_ptr for tables
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2021-02-05 Joe JordanUse raw strings instead of format in docker build script
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2021-01-26 ejjordanAdd necessary dependence of sample test on check-nblib
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2021-01-25 Joe JordanCheck availability of compile flags at cmake time
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2021-01-25 ejjordanRename DefaultAngle to HarmonicAngleType in nblib listed...
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2020-11-17 Joe JordanRemove some extraneous compiler flags from nblib
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2020-11-09 Joe JordanAdd backend for nblib listed forces API
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2020-11-04 Joe JordanNBLIB listed forces API update
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2020-11-02 ejjordanUpdate to nblib non-bonded backend
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2020-10-30 Joe JordanIntroduce nblib versioning
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2020-10-13 Joe JordanFix segfault in pull reading
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2020-10-02 Joe JordanAdd tests for setStringEntry
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2020-09-30 Joe JordanAdd nblib sample script
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2020-09-29 ejjordanFail gracefully when nblib cannot be built
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2020-09-29 Joe JordanAdd nblib backend: Part 2 of 2
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2020-09-28 Joe JordanAdd nblib backend: Part 1 of 2
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2020-09-28 Joe JordanAdd initial nblib public API
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2020-09-11 ejjordanMove src/api cmake logic into src/api cmake file
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2020-09-10 Joe JordanReplace GMX_ASSERT with assert in vectypes.h
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2020-07-03 Joe JordanUse vector in atoms2md instead of pointer
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2020-06-26 ejjordanIncrease BD ulp tolerance to avoid spurious test failures
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2020-06-26 ejjordanCompletely encapsulate membed logic in MembedHolder
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2020-06-26 ejjordanAdd MembedHolder for SimulatorBuilder.
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2020-06-23 Joe JordanRemove some headers from install targets
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2020-04-30 ejjordanAdd EOF newlines to eliminate compiler warnings
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2020-04-30 ejjordanRemove cmake logic that is outdated by requiring cmake...
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2020-04-28 ejjordanAddress review comments
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2020-04-28 ejjordanSimplify calc_listed signature
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2020-04-28 ejjordanFix issues with check-source
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2020-02-23 ejjordanUse more forward declarations to removed header dependencies
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2019-12-19 ejjordanChange some domdec data members to RVec or IVec
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2019-11-15 ejjordanFuse two adjacent neighbor search branches in do_force
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2019-11-14 ejjordanRemove qm dependence on forcerec in do_force_lowlevel
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2019-11-14 ejjordanRemove useGpuNonbonded from launchGpuEndOfStepTasks...
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2019-11-13 ejjordanCreate clang-tidy cmake option
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2019-11-12 ejjordanFix type in clang-format.sh help text
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2019-11-09 ejjordanFix mdp parameter handling in mdrun tests
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2019-11-09 ejjordanFix mdp parameter handling in mdrun tests
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2019-11-08 ejjordanFix 2 broken NOLINT's from clang-format change
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2019-11-08 ejjordanFix 2 broken NOLINT's from clang-format change
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2019-10-23 ejjordanMake t_nextnb an implementation detail
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2019-10-22 ejjordanRemove unused functions from gmxpreprocess
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2019-10-22 ejjordanRemove unused function generate_excls and make clean_excls...
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2019-09-19 ejjordanRemove or update comments containing 'group scheme'
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2019-09-16 ejjordanAdd some cool quotes
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2019-04-16 ejjordanDie with helpful note in case of incorrect input to...
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2019-04-15 ejjordanfix formatting of editconf note
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