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2019-08-25	Artem Zhmurov	Make use of recent changes to prepareKernelArguments...	commit \| commitdiff \| tree
2019-08-25	Artem Zhmurov	Misceleneous improvements to the Leap Frog tests	commit \| commitdiff \| tree
2019-08-20	Mark Abraham	Apply clang-tidy-8 readability-uppercase-literal-suffix	commit \| commitdiff \| tree
2019-08-20	Mark Abraham	Use potential-shift as default modifier	commit \| commitdiff \| tree
2019-08-09	Berk Hess	Move bonded function table into bonded.cpp	commit \| commitdiff \| tree
2019-08-08	Mark Abraham	Initialize gmx_ekindata_t and t_vcm properly	commit \| commitdiff \| tree
2019-08-06	Artem Zhmurov	Fix for cmake lists in mdlib tests	commit \| commitdiff \| tree
2019-07-31	Artem Zhmurov	Change the file structure in constraints tests	commit \| commitdiff \| tree
2019-07-31	Szilárd Páll	Store wcycle pointer in nonbonded_verlet_t	commit \| commitdiff \| tree
2019-07-26	Artem Zhmurov	Remove PImpl scaffolding from CUDA version of SETTLE	commit \| commitdiff \| tree
2019-07-05	Kevin Boyd	Change error message when attempting to offload to...	commit \| commitdiff \| tree
2019-07-05	Artem Zhmurov	Remove PImpl scaffolding from CUDA version of LINCS	commit \| commitdiff \| tree
2019-07-04	Artem Zhmurov	Use reallocateDeviceBuffer(...) in CUDA version of...	commit \| commitdiff \| tree
2019-07-03	Artem Zhmurov	Early exit for CUDA versions of SETTLE and LINCS	commit \| commitdiff \| tree
2019-07-03	Artem Zhmurov	Memory management fixes in CUDA version of LINCS	commit \| commitdiff \| tree
2019-06-28	Szilárd Páll	Separate CPU NB kernel and buffer clearing subcounters	commit \| commitdiff \| tree
2019-06-28	Magnus Lundborg	Fused GPU bonded kernels	commit \| commitdiff \| tree
2019-06-18	Artem Zhmurov	Combine CUDA Leap-Frog, LINCS and SETTLE. I.	commit \| commitdiff \| tree
2019-05-24	Artem Zhmurov	Clarify which of the main energy terms are printed.	commit \| commitdiff \| tree
2019-05-13	Paul Bauer	Fix math formatting in reference manual	commit \| commitdiff \| tree
2019-05-12	Artem Zhmurov	CUDA version of Leap-Frog integrator with basic tests	commit \| commitdiff \| tree
2019-05-06	Mark Abraham	Improve how mdrun -noappend names output files	commit \| commitdiff \| tree
2019-05-02	Artem Zhmurov	Use test with parameters for EnergyOutput	commit \| commitdiff \| tree
2019-04-30	Artem Zhmurov	CUDA version of SETTLE algorithm with basic tests	commit \| commitdiff \| tree
2019-04-29	Artem Zhmurov	Fix for the CUDA version of LINCS	commit \| commitdiff \| tree
2019-04-28	Artem Zhmurov	CUDA version of LINCS constraints.	commit \| commitdiff \| tree
2019-04-04	Carsten Kutzner	Early exit from mdrun if group scheme is detected in...	commit \| commitdiff \| tree
2019-04-04	Artem Zhmurov	Remove isPressureCouplingStep(...)	commit \| commitdiff \| tree
2019-04-04	Artem Zhmurov	Remove isTemperatureCouplingStep(...)	commit \| commitdiff \| tree
2019-03-13	Artem Zhmurov	Basic routines to handle periodic boundary.	commit \| commitdiff \| tree
2019-02-19	Artem Zhmurov	PBC setup for GPU is moved into pbcutils.	commit \| commitdiff \| tree
2019-02-13	Artem Zhmurov	Ignore Visual Studio Code metadata.	commit \| commitdiff \| tree

The ultimate molecular dynamics simulation package

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