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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
2020-12-15	Mark Abraham	Update deprecation statuses	commit \| commitdiff \| tree
2020-11-10	Paul Bauer	Disable failing NB-LIB listed forces tests	commit \| commitdiff \| tree
2020-11-10	kanduri	NBLIB: Fix build warning from uninitialized array	commit \| commitdiff \| tree
2020-11-04	Mark Abraham	Remove logging from hardware detection	commit \| commitdiff \| tree
2020-11-04	Joe Jordan	NBLIB listed forces API update	commit \| commitdiff \| tree
2020-10-21	Paul Bauer	Only build nblib tests when requested	commit \| commitdiff \| tree
2020-10-13	Paul Bauer	Do not validate build for external source management	commit \| commitdiff \| tree
2020-10-06	Paul Bauer	GROMACS version 2020.4	commit \| commitdiff \| tree
2020-10-01	Andrey Alekseenko	Remove ensureReferenceCount from OpenCL's GpuEventSynchronizer	commit \| commitdiff \| tree
2020-10-01	Christian Blau	Fix the FEP lambda interpolation	commit \| commitdiff \| tree
2020-10-01	Pascal Merz	Update modular simulator docs	commit \| commitdiff \| tree
2020-09-30	Paul Bauer	Update CI on 2020 branch	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
2020-09-22	Paul Bauer	Make Oneapi use CCache again	commit \| commitdiff \| tree
2020-09-10	Christian Blau	Simplify and fix how lambda values are set	commit \| commitdiff \| tree
2020-09-10	Artem Zhmurov	Use common device context header for OpenCL	commit \| commitdiff \| tree
2020-09-10	Artem Zhmurov	Unify more functions in CUDA and OpenCL implementations...	commit \| commitdiff \| tree
2020-09-08	Paul Bauer	Move densityfitting to its own directory	commit \| commitdiff \| tree
2020-09-07	Artem Zhmurov	Remove in-body comment from init_forcerec(...) function	commit \| commitdiff \| tree
2020-08-25	Magnus Lundborg	Avoid log(0) if probability is too low	commit \| commitdiff \| tree
2020-08-24	Artem Zhmurov	Move GPU devices management into hardware subfolder	commit \| commitdiff \| tree
2020-08-21	M. Eric Irrgang	Remove conditional for CMake < 3.12.	commit \| commitdiff \| tree
2020-08-10	Christian Blau	Move density fitting checkpointing into state	commit \| commitdiff \| tree
2020-08-03	M. Eric Irrgang	Prevent failed commandline_operation from publishing...	commit \| commitdiff \| tree
2020-08-03	M. Eric Irrgang	Minor additions to gmxapi install.rst	commit \| commitdiff \| tree
2020-08-03	M. Eric Irrgang	Use importlib_resources in Python 3.6 images.	commit \| commitdiff \| tree
2020-07-03	Joe Jordan	Use vector in atoms2md instead of pointer	commit \| commitdiff \| tree
2020-07-02	Christian Blau	Coordinate transformation on single RVecs	commit \| commitdiff \| tree
2020-07-01	M. Eric Irrgang	Clean up simulatorbuilder.h	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Implement SimulatorBuilder.add() for BoxDeformationHandle.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Use TopologyData.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Use IonSwapping parameter.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Use CenterOfMassPulling	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Use ReplicaExchange member instead of build() argument.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Use SimulatorModules parameter.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Use InteractiveMD SimulatorBuilder parameter.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Use LegacyInput.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Use ConstraintsParam.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Move Profiling parameter out of simulatorbuilder.build()	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Use SimulatorEnv	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Implement remaining SimulatorBuilder.add() methods.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Interface for remaining SimulatorBuilder.add() methods.	commit \| commitdiff \| tree
2020-06-26	ejjordan	Completely encapsulate membed logic in MembedHolder	commit \| commitdiff \| tree
2020-06-26	Artem Zhmurov	Make holder for simulation configuration	commit \| commitdiff \| tree
2020-06-26	Prashanth Kanduri	Use SimulatorStateData.	commit \| commitdiff \| tree
2020-06-26	ejjordan	Add MembedHolder for SimulatorBuilder.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	SimulatorBuilder.add() for StopHandlerBuilder.	commit \| commitdiff \| tree
2020-06-26	M. Eric Irrgang	Implement SimulatorBuilder.build()	commit \| commitdiff \| tree
2020-06-23	Joe Jordan	Remove some headers from install targets	commit \| commitdiff \| tree
2020-06-08	Artem Zhmurov	Unify VdW and Electrostatic kernel enumerations in...	commit \| commitdiff \| tree
2020-04-28	ejjordan	Address review comments	commit \| commitdiff \| tree
2020-04-28	ejjordan	Simplify calc_listed signature	commit \| commitdiff \| tree

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