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2021-03-19	ejjordan	Use ArrayRef in gmx_pme_send_parameters	commit \| commitdiff \| tree
2021-03-19	ejjordan	Use const refs in atoms2md signature	commit \| commitdiff \| tree
2021-03-17	ejjordan	Use ArrayRef<const real> in gmx_pme_do	commit \| commitdiff \| tree
2021-03-16	Joe Jordan	Use RVec and std::array in gmx_domdec_comm_t	commit \| commitdiff \| tree
2021-03-16	Joe Jordan	Remove conditional assignemnt of cell sizes from domdec...	commit \| commitdiff \| tree
2021-03-10	Joe Jordan	Remove param fillLocal, which was always false, from...	commit \| commitdiff \| tree
2021-03-09	ejjordan	Move radian-angle conversions to math/utility	commit \| commitdiff \| tree
2021-03-09	Joe Jordan	Use constexpr for physical constants and move them...	commit \| commitdiff \| tree
2021-03-08	ejjordan	Remove includes from math/utilities that are not needed...	commit \| commitdiff \| tree
2021-03-01	Joe Jordan	Use const ref for mtop and inputrec in EnergyOutput...	commit \| commitdiff \| tree
2021-02-28	Joe Jordan	Use more const ref in domdec API	commit \| commitdiff \| tree
2021-02-26	Joe Jordan	Only use const ref for mtop and inputrec in domdec	commit \| commitdiff \| tree
2021-02-23	Joe Jordan	Use verbose names in init_forcerec	commit \| commitdiff \| tree
2021-02-22	Joe Jordan	Hold unique_ptr to gmx_ewald_tab_t in forcerec	commit \| commitdiff \| tree
2021-02-22	Joe Jordan	Hold unique_ptr for interaction_const in forcerec	commit \| commitdiff \| tree
2021-02-22	ejjordan	remove InteractionLocality from PairListSet constructor	commit \| commitdiff \| tree
2021-02-20	Joe Jordan	Remove unsed structs from nblist and use vector in...	commit \| commitdiff \| tree
2021-02-19	Joe Jordan	Revome unused code from nsgrid	commit \| commitdiff \| tree
2021-02-19	Joe Jordan	Use const refs in init_nb_verlet	commit \| commitdiff \| tree
2021-02-19	ejjordan	Pass restraint data structures to bonded functions	commit \| commitdiff \| tree
2021-02-19	Joe Jordan	Rename and add doxygen to reaction field params in...	commit \| commitdiff \| tree
2021-02-18	Joe Jordan	Use unique_ptr for forcerec in runner	commit \| commitdiff \| tree
2021-02-18	ejjordan	Fix includes and forward declarations of domdec in...	commit \| commitdiff \| tree
2021-02-18	ejjordan	Use array in gmx_domdec_zones_t	commit \| commitdiff \| tree
2021-02-17	ejjordan	Remove dead function declarations from forcerec	commit \| commitdiff \| tree
2021-02-17	ejjordan	More const in edsam functions	commit \| commitdiff \| tree
2021-02-17	ejjordan	Use const ref to mtop in init_forcerec	commit \| commitdiff \| tree
2021-02-16	Joe Jordan	Use const ref to inputrec in do_force	commit \| commitdiff \| tree
2021-02-11	Joe Jordan	Use unique_ptr for tables	commit \| commitdiff \| tree
2021-02-05	Joe Jordan	Use raw strings instead of format in docker build script	commit \| commitdiff \| tree
2021-01-26	ejjordan	Add necessary dependence of sample test on check-nblib	commit \| commitdiff \| tree
2021-01-25	Joe Jordan	Check availability of compile flags at cmake time	commit \| commitdiff \| tree
2021-01-25	ejjordan	Rename DefaultAngle to HarmonicAngleType in nblib listed...	commit \| commitdiff \| tree
2020-11-17	Joe Jordan	Remove some extraneous compiler flags from nblib	commit \| commitdiff \| tree
2020-11-09	Joe Jordan	Add backend for nblib listed forces API	commit \| commitdiff \| tree
2020-11-04	Joe Jordan	NBLIB listed forces API update	commit \| commitdiff \| tree
2020-11-02	ejjordan	Update to nblib non-bonded backend	commit \| commitdiff \| tree
2020-10-30	Joe Jordan	Introduce nblib versioning	commit \| commitdiff \| tree
2020-10-13	Joe Jordan	Fix segfault in pull reading	commit \| commitdiff \| tree
2020-10-02	Joe Jordan	Add tests for setStringEntry	commit \| commitdiff \| tree
2020-09-30	Joe Jordan	Add nblib sample script	commit \| commitdiff \| tree
2020-09-29	ejjordan	Fail gracefully when nblib cannot be built	commit \| commitdiff \| tree
2020-09-29	Joe Jordan	Add nblib backend: Part 2 of 2	commit \| commitdiff \| tree
2020-09-28	Joe Jordan	Add nblib backend: Part 1 of 2	commit \| commitdiff \| tree
2020-09-28	Joe Jordan	Add initial nblib public API	commit \| commitdiff \| tree
2020-09-11	ejjordan	Move src/api cmake logic into src/api cmake file	commit \| commitdiff \| tree
2020-09-10	Joe Jordan	Replace GMX_ASSERT with assert in vectypes.h	commit \| commitdiff \| tree
2020-07-03	Joe Jordan	Use vector in atoms2md instead of pointer	commit \| commitdiff \| tree
2020-06-26	ejjordan	Increase BD ulp tolerance to avoid spurious test failures	commit \| commitdiff \| tree
2020-06-26	ejjordan	Completely encapsulate membed logic in MembedHolder	commit \| commitdiff \| tree
2020-06-26	ejjordan	Add MembedHolder for SimulatorBuilder.	commit \| commitdiff \| tree
2020-06-23	Joe Jordan	Remove some headers from install targets	commit \| commitdiff \| tree
2020-04-30	ejjordan	Add EOF newlines to eliminate compiler warnings	commit \| commitdiff \| tree
2020-04-30	ejjordan	Remove cmake logic that is outdated by requiring cmake...	commit \| commitdiff \| tree
2020-04-28	ejjordan	Address review comments	commit \| commitdiff \| tree
2020-04-28	ejjordan	Simplify calc_listed signature	commit \| commitdiff \| tree
2020-04-28	ejjordan	Fix issues with check-source	commit \| commitdiff \| tree
2020-02-23	ejjordan	Use more forward declarations to removed header dependencies	commit \| commitdiff \| tree
2019-12-19	ejjordan	Change some domdec data members to RVec or IVec	commit \| commitdiff \| tree
2019-11-15	ejjordan	Fuse two adjacent neighbor search branches in do_force	commit \| commitdiff \| tree
2019-11-14	ejjordan	Remove qm dependence on forcerec in do_force_lowlevel	commit \| commitdiff \| tree
2019-11-14	ejjordan	Remove useGpuNonbonded from launchGpuEndOfStepTasks...	commit \| commitdiff \| tree
2019-11-13	ejjordan	Create clang-tidy cmake option	commit \| commitdiff \| tree
2019-11-12	ejjordan	Fix type in clang-format.sh help text	commit \| commitdiff \| tree
2019-11-09	ejjordan	Fix mdp parameter handling in mdrun tests	commit \| commitdiff \| tree
2019-11-09	ejjordan	Fix mdp parameter handling in mdrun tests	commit \| commitdiff \| tree
2019-11-08	ejjordan	Fix 2 broken NOLINT's from clang-format change	commit \| commitdiff \| tree
2019-11-08	ejjordan	Fix 2 broken NOLINT's from clang-format change	commit \| commitdiff \| tree
2019-10-23	ejjordan	Make t_nextnb an implementation detail	commit \| commitdiff \| tree
2019-10-22	ejjordan	Remove unused functions from gmxpreprocess	commit \| commitdiff \| tree
2019-10-22	ejjordan	Remove unused function generate_excls and make clean_excls...	commit \| commitdiff \| tree
2019-09-19	ejjordan	Remove or update comments containing 'group scheme'	commit \| commitdiff \| tree
2019-09-16	ejjordan	Add some cool quotes	commit \| commitdiff \| tree
2019-04-16	ejjordan	Die with helpful note in case of incorrect input to...	commit \| commitdiff \| tree
2019-04-15	ejjordan	fix formatting of editconf note	commit \| commitdiff \| tree

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