Public Git Hosting - gromacs.git/search

2019-01-18	M. Eric Irrgang	Remove .travis.yml Travis-CI config file.	commit \| commitdiff \| tree
2018-12-19	M. Eric Irrgang	Restrict number of OpenMP threads during testing.	commit \| commitdiff \| tree
2018-11-20	M. Eric Irrgang	Bump gmxapi version number for 2020 development cycle.	commit \| commitdiff \| tree
2018-11-16	M. Eric Irrgang	Expand gmxapi testing to include thread-MPI.	commit \| commitdiff \| tree
2018-11-16	M. Eric Irrgang	Convert unhelpful assertion to better documentation.	commit \| commitdiff \| tree
2018-11-16	M. Eric Irrgang	Remove extraneous CMake config.	commit \| commitdiff \| tree
2018-11-15	M. Eric Irrgang	Note GMX_ENABLE_CCACHE in build system docs.	commit \| commitdiff \| tree
2018-11-14	M. Eric Irrgang	Note GMXAPI CMake variables and build targets.	commit \| commitdiff \| tree
2018-11-01	M. Eric Irrgang	Fully define symbols in restraintpotential.h	commit \| commitdiff \| tree
2018-11-01	M. Eric Irrgang	Add missing blame for restraint module files.	commit \| commitdiff \| tree
2018-10-19	M. Eric Irrgang	Documentation bug in gmxapi/context.h	commit \| commitdiff \| tree
2018-10-15	M. Eric Irrgang	Release notes for restraint module and gmxapi.	commit \| commitdiff \| tree
2018-10-15	M. Eric Irrgang	Ignore pyenv config file.	commit \| commitdiff \| tree
2018-10-15	M. Eric Irrgang	Preparation for de-duplicating mdrun setup	commit \| commitdiff \| tree
2018-10-14	M. Eric Irrgang	Add some "to do"s for MDModules and Impl.	commit \| commitdiff \| tree
2018-10-14	M. Eric Irrgang	Resolve some linter warnings.	commit \| commitdiff \| tree
2018-10-14	M. Eric Irrgang	Test signaling facility through session resources.	commit \| commitdiff \| tree
2018-10-14	M. Eric Irrgang	Clean up gmxapi testsupport output.	commit \| commitdiff \| tree
2018-10-14	M. Eric Irrgang	gmxapi::UsageError	commit \| commitdiff \| tree
2018-10-14	M. Eric Irrgang	Allow API access to simulation signals.	commit \| commitdiff \| tree
2018-10-12	M. Eric Irrgang	Add gmxapi session resources.	commit \| commitdiff \| tree
2018-10-12	M. Eric Irrgang	Enable restraints facilities.	commit \| commitdiff \| tree
2018-10-12	M. Eric Irrgang	Add API for adding MDModules / Restraints.	commit \| commitdiff \| tree
2018-10-12	M. Eric Irrgang	Initialize force vector in PotentialPointData constructor.	commit \| commitdiff \| tree
2018-10-12	M. Eric Irrgang	Add restraints framework.	commit \| commitdiff \| tree
2018-10-11	M. Eric Irrgang	Add gmxapi::Workflow.	commit \| commitdiff \| tree
2018-10-11	M. Eric Irrgang	Add gmxapi::Session.	commit \| commitdiff \| tree
2018-10-10	M. Eric Irrgang	gmxapi expects position independent code.	commit \| commitdiff \| tree
2018-10-05	M. Eric Irrgang	Add gmxapi::System.	commit \| commitdiff \| tree
2018-10-03	M. Eric Irrgang	Add gmxapi::Context.	commit \| commitdiff \| tree
2018-10-03	M. Eric Irrgang	Combine private sections of Mdrunner definition.	commit \| commitdiff \| tree
2018-10-03	M. Eric Irrgang	Move mdrun mainFunction to client code.	commit \| commitdiff \| tree
2018-10-03	M. Eric Irrgang	Add test data for gmxapi.	commit \| commitdiff \| tree
2018-10-03	M. Eric Irrgang	Add gmxapi exceptions.	commit \| commitdiff \| tree
2018-10-02	M. Eric Irrgang	Add gmxapi::Status.	commit \| commitdiff \| tree
2018-09-25	M. Eric Irrgang	Allow explicit reset of simulation stop condition.	commit \| commitdiff \| tree
2018-09-24	M. Eric Irrgang	Fix gmxapi::Version test regression.	commit \| commitdiff \| tree
2018-09-23	M. Eric Irrgang	Add gmxapi::MDModule.	commit \| commitdiff \| tree
2018-09-19	M. Eric Irrgang	Change names of gmxapi::Version functions.	commit \| commitdiff \| tree
2018-09-17	M. Eric Irrgang	Framework in which to build gmxapi.	commit \| commitdiff \| tree
2018-09-14	M. Eric Irrgang	Rearrange mdrun/runner.h	commit \| commitdiff \| tree
2018-09-12	M. Eric Irrgang	Simplify add_suffix_to_output_names()	commit \| commitdiff \| tree
2018-09-10	M. Eric Irrgang	Remove const from pointers in t_filenm.	commit \| commitdiff \| tree
2018-09-05	M. Eric Irrgang	Adjust loader path resolution on Mac OS X.	commit \| commitdiff \| tree
2018-08-29	M. Eric Irrgang	Allow extensible MDModules and forceProviders.	commit \| commitdiff \| tree
2018-08-08	M. Eric Irrgang	Enable ccache compiler wrapper when available.	commit \| commitdiff \| tree
2018-08-07	M. Eric Irrgang	Add some developer help to Developer Guide.	commit \| commitdiff \| tree
2018-08-01	M. Eric Irrgang	Remove extraneous gitignore line.	commit \| commitdiff \| tree
2017-09-02	M. Eric Irrgang	Remove macro that confuses some debuggers	commit \| commitdiff \| tree
2017-09-02	M. Eric Irrgang	make a box parameter const	commit \| commitdiff \| tree
2017-08-31	M. Eric Irrgang	Add more git ignores	commit \| commitdiff \| tree
2017-08-30	M. Eric Irrgang	normalize some C header includes	commit \| commitdiff \| tree
2017-08-30	M. Eric Irrgang	small precaution in case *argc == 0	commit \| commitdiff \| tree
2017-08-30	M. Eric Irrgang	Declare an input parameter const	commit \| commitdiff \| tree
2017-07-27	M. Eric Irrgang	Provide STL make_unique template function.	commit \| commitdiff \| tree
2017-06-30	M. Eric Irrgang	Mark unmodified input parameter as const.	commit \| commitdiff \| tree
2017-06-29	M. Eric Irrgang	Mark unmodified input parameter const	commit \| commitdiff \| tree
2017-04-22	M. Eric Irrgang	ignore OS X Finder metadata	commit \| commitdiff \| tree
2017-04-22	M. Eric Irrgang	sort ignored file extensions	commit \| commitdiff \| tree
2017-04-22	M. Eric Irrgang	ignore g++ precompiler header output	commit \| commitdiff \| tree
2017-03-17	M. Eric Irrgang	Add an extra verbose target for docs	commit \| commitdiff \| tree
2016-12-15	M. Eric Irrgang	Fix syntax in cmake status message	commit \| commitdiff \| tree

The ultimate molecular dynamics simulation package

RSS Atom