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2021-05-19	ejjordan	Make TrotterSequence enum class	commit \| commitdiff \| tree
2021-05-19	ejjordan	Remove forcerec and inputrec from ewald_LRcorrection	commit \| commitdiff \| tree
2021-05-19	ejjordan	Remove forcerec from ewald_charge_correction	commit \| commitdiff \| tree
2021-05-05	ejjordan	Remove dead functions from statistics module	commit \| commitdiff \| tree
2021-05-04	ejjordan	Remove mdatoms from do_walls	commit \| commitdiff \| tree
2021-05-04	ejjordan	Remove mdatoms from vsite	commit \| commitdiff \| tree
2021-05-04	ejjordan	Use enum : bool in commandline test	commit \| commitdiff \| tree
2021-05-04	ejjordan	Preven extension of DDBondedChecking	commit \| commitdiff \| tree
2021-05-03	ejjordan	Remove mdatoms from pairs in listed forces	commit \| commitdiff \| tree
2021-05-03	ejjordan	Remove mdatoms from expanded	commit \| commitdiff \| tree
2021-04-27	ejjordan	Remove leftover function declaration from nbnxm atomdata	commit \| commitdiff \| tree
2021-04-27	ejjordan	Increase const correctness of t_mdatoms use in md.cpp	commit \| commitdiff \| tree
2021-04-26	ejjordan	Apply clang-tidy11 to correlationfunctions	commit \| commitdiff \| tree
2021-04-26	ejjordan	Apply clang-tidy11 to simd	commit \| commitdiff \| tree
2021-04-26	ejjordan	Apply clang-tidy11 to random	commit \| commitdiff \| tree
2021-04-26	ejjordan	Apply clang-tidy11 to commandline	commit \| commitdiff \| tree
2021-04-21	ejjordan	Finish removing t_mdatoms from update module	commit \| commitdiff \| tree
2021-04-21	ejjordan	Use index instead of pointer in t_mde_delta_h_coll	commit \| commitdiff \| tree
2021-04-20	ejjordan	clang-tidy-11 fixes mdrun tests	commit \| commitdiff \| tree
2021-04-20	ejjordan	clang-tidy-11 fixes for listed_forces	commit \| commitdiff \| tree
2021-04-20	ejjordan	Apply clang-tidy11 to gmxana files with no dependencies	commit \| commitdiff \| tree
2021-04-19	ejjordan	clang-tidy-11 fixes for options	commit \| commitdiff \| tree
2021-04-19	ejjordan	clang-tidy-11 fixes for hardware	commit \| commitdiff \| tree
2021-04-19	ejjordan	clang-tidy-11 fixes for analysisdata	commit \| commitdiff \| tree
2021-04-12	ejjordan	Constructor for gmx_ekindata_t	commit \| commitdiff \| tree
2021-04-10	ejjordan	Minor forcerec cleanup	commit \| commitdiff \| tree
2021-04-02	ejjordan	Move domdec/partition into gmx namespace; minor cleanup	commit \| commitdiff \| tree
2021-03-31	ejjordan	Fix doxygen for updateMDLeapfrogGeneral	commit \| commitdiff \| tree
2021-03-25	ejjordan	ArrayRef and const ref in gmx_nb_free_energy_kernel	commit \| commitdiff \| tree
2021-03-25	ejjordan	Fix some doxygen errors	commit \| commitdiff \| tree
2021-03-24	ejjordan	Remove nb_kernel_data_t	commit \| commitdiff \| tree
2021-03-24	ejjordan	Remove unneeded members from nb_kernel_data_t	commit \| commitdiff \| tree
2021-03-23	ejjordan	Forward declare ArrayRef more and inlcude basedefinitions...	commit \| commitdiff \| tree
2021-03-23	ejjordan	More const ref in shellfc	commit \| commitdiff \| tree
2021-03-22	ejjordan	Use ArrayRef in do_ewald	commit \| commitdiff \| tree
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
2021-03-09	ejjordan	Move radian-angle conversions to math/utility	commit \| commitdiff \| tree
2021-03-08	ejjordan	Remove includes from math/utilities that are not needed...	commit \| commitdiff \| tree
2021-02-22	ejjordan	remove InteractionLocality from PairListSet constructor	commit \| commitdiff \| tree
2021-02-19	ejjordan	Pass restraint data structures to bonded functions	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
2021-01-26	ejjordan	Add necessary dependence of sample test on check-nblib	commit \| commitdiff \| tree
2021-01-25	ejjordan	Rename DefaultAngle to HarmonicAngleType in nblib listed...	commit \| commitdiff \| tree
2020-11-02	ejjordan	Update to nblib non-bonded backend	commit \| commitdiff \| tree
2020-09-29	ejjordan	Fail gracefully when nblib cannot be built	commit \| commitdiff \| tree
2020-09-11	ejjordan	Move src/api cmake logic into src/api cmake file	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
2020-04-30	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

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