Ecosyste.ms: Issues

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GitHub / greschd/aiida-optimize issues and pull requests

#56 - Bump version to 1.0.2

Pull Request - State: closed - Opened by greschd over 1 year ago

#56 - Bump version to 1.0.2

Pull Request - State: closed - Opened by greschd over 1 year ago

#55 - Fix install requires

Pull Request - State: closed - Opened by chrisjsewell over 1 year ago - 5 comments

#55 - Fix install requires

Pull Request - State: closed - Opened by chrisjsewell over 1 year ago - 5 comments

#54 - Remove aiida tools dependency

Pull Request - State: closed - Opened by greschd over 2 years ago

#54 - Remove aiida tools dependency

Pull Request - State: closed - Opened by greschd over 2 years ago

#53 - Bump version number

Pull Request - State: closed - Opened by greschd over 2 years ago

#53 - Bump version number

Pull Request - State: closed - Opened by greschd over 2 years ago

#52 - Fix readthedocs build

Pull Request - State: closed - Opened by greschd over 2 years ago

#52 - Fix readthedocs build

Pull Request - State: closed - Opened by greschd over 2 years ago

#51 - Update to compatible with aiida-core 2.x

Pull Request - State: closed - Opened by unkcpz over 2 years ago - 8 comments

#51 - Update to compatible with aiida-core 2.x

Pull Request - State: closed - Opened by unkcpz over 2 years ago - 8 comments

#50 - Add genetic algorithm engine

Issue - State: open - Opened by unkcpz over 2 years ago - 3 comments

#48 - Bump version to 0.5.0 for release

Pull Request - State: closed - Opened by greschd over 2 years ago

#48 - Bump version to 0.5.0 for release

Pull Request - State: closed - Opened by greschd over 2 years ago

#47 - Fix continuous integration

Pull Request - State: closed - Opened by greschd over 2 years ago

#47 - Fix continuous integration

Pull Request - State: closed - Opened by greschd over 2 years ago

#46 - Particle swarm

Pull Request - State: closed - Opened by bosonie over 2 years ago - 5 comments

#46 - Particle swarm

Pull Request - State: closed - Opened by bosonie over 2 years ago - 5 comments

#45 - development status now parsed from `setup.json`

Issue - State: closed - Opened by ltalirz almost 3 years ago - 1 comment

#45 - development status now parsed from `setup.json`

Issue - State: closed - Opened by ltalirz almost 3 years ago - 1 comment

#44 - Feature/nelder mead outputs

Pull Request - State: closed - Opened by bosonie over 3 years ago - 5 comments

#44 - Feature/nelder mead outputs

Pull Request - State: closed - Opened by bosonie over 3 years ago - 5 comments

#43 - Update required pytest version to `~=6.0`.

Pull Request - State: closed - Opened by greschd over 3 years ago

#43 - Update required pytest version to `~=6.0`.

Pull Request - State: closed - Opened by greschd over 3 years ago

#42 - Implement use of `max_iter` for nelder_mead engine.

Pull Request - State: closed - Opened by bosonie over 3 years ago - 6 comments

#42 - Implement use of `max_iter` for nelder_mead engine.

Pull Request - State: closed - Opened by bosonie over 3 years ago - 6 comments

#41 - `max_iter` argument of `NelderMead` engine is ignored

Issue - State: closed - Opened by bosonie over 3 years ago - 3 comments
Labels: bug

#41 - `max_iter` argument of `NelderMead` engine is ignored

Issue - State: closed - Opened by bosonie over 3 years ago - 3 comments
Labels: bug

#40 - Remove `fun_simplex` from NelderMead public interface

Issue - State: open - Opened by greschd over 3 years ago

#40 - Remove `fun_simplex` from NelderMead public interface

Issue - State: open - Opened by greschd over 3 years ago

#39 - Add `get_engine_outputs` to `EngineImpl` base class.

Pull Request - State: closed - Opened by greschd almost 4 years ago

#39 - Add `get_engine_outputs` to `EngineImpl` base class.

Pull Request - State: closed - Opened by greschd almost 4 years ago

#38 - Allow passing values between arbitrary processes in Concatenate.

Pull Request - State: closed - Opened by greschd almost 4 years ago

#38 - Allow passing values between arbitrary processes in Concatenate.

Pull Request - State: closed - Opened by greschd almost 4 years ago

#37 - Add documentation for concatenate workchain.

Pull Request - State: closed - Opened by greschd almost 4 years ago

#37 - Add documentation for concatenate workchain.

Pull Request - State: closed - Opened by greschd almost 4 years ago

#36 - Add concatenate wrapper

Pull Request - State: closed - Opened by greschd almost 4 years ago

#36 - Add concatenate wrapper

Pull Request - State: closed - Opened by greschd almost 4 years ago

#35 - Is there a way to give custom outputs from custom engine?

Issue - State: open - Opened by unkcpz almost 4 years ago - 3 comments

#35 - Is there a way to give custom outputs from custom engine?

Issue - State: open - Opened by unkcpz almost 4 years ago - 3 comments

#34 - handle the failed evaluate process of OptimizationWorkChain

Issue - State: closed - Opened by unkcpz almost 4 years ago - 2 comments

#34 - handle the failed evaluate process of OptimizationWorkChain

Issue - State: closed - Opened by unkcpz almost 4 years ago - 2 comments

#32 - Allow list of `input_key` for NelderMead.

Issue - State: open - Opened by greschd almost 4 years ago
Labels: enhancement

#32 - Allow list of `input_key` for NelderMead.

Issue - State: open - Opened by greschd almost 4 years ago
Labels: enhancement

#31 - Bump version number to 0.4.0

Pull Request - State: closed - Opened by greschd almost 4 years ago

#31 - Bump version number to 0.4.0

Pull Request - State: closed - Opened by greschd almost 4 years ago

#30 - new version release

Issue - State: closed - Opened by unkcpz almost 4 years ago - 3 comments

#30 - new version release

Issue - State: closed - Opened by unkcpz almost 4 years ago - 3 comments

#29 - 'aiida_optimize.engines._result_mapping' is not imported exception

Issue - State: closed - Opened by unkcpz about 4 years ago - 5 comments

#28 - Add the input to the optimal process as an output of the OptimizationWorkChain

Pull Request - State: closed - Opened by zooks97 about 4 years ago - 1 comment

#28 - Add the input to the optimal process as an output of the OptimizationWorkChain

Pull Request - State: closed - Opened by zooks97 about 4 years ago - 1 comment

#27 - Switch CI to Github Actions

Pull Request - State: closed - Opened by greschd about 4 years ago

#27 - Switch CI to Github Actions

Pull Request - State: closed - Opened by greschd about 4 years ago

#26 - Attempt at supporting nested-key syntax

Pull Request - State: closed - Opened by zooks97 about 4 years ago - 3 comments

#26 - Attempt at supporting nested-key syntax

Pull Request - State: closed - Opened by zooks97 about 4 years ago - 3 comments

#25 - Add helper function for accessing dotted names in outputs

Issue - State: closed - Opened by greschd about 4 years ago
Labels: enhancement

#25 - Add helper function for accessing dotted names in outputs

Issue - State: closed - Opened by greschd about 4 years ago
Labels: enhancement

#24 - Allow dotted syntax in input names

Issue - State: closed - Opened by greschd about 4 years ago
Labels: enhancement

#24 - Allow dotted syntax in input names

Issue - State: closed - Opened by greschd about 4 years ago
Labels: enhancement

#23 - Convergence engine

Pull Request - State: closed - Opened by zooks97 about 4 years ago

#23 - Convergence engine

Pull Request - State: closed - Opened by zooks97 about 4 years ago

#22 - Allow engines to gracefully handle evaluate_process failures

Issue - State: open - Opened by greschd about 4 years ago - 6 comments
Labels: enhancement

#22 - Allow engines to gracefully handle evaluate_process failures

Issue - State: open - Opened by greschd about 4 years ago - 6 comments
Labels: enhancement

#21 - Implement an exit code for failed optimizations

Issue - State: closed - Opened by greschd about 4 years ago
Labels: enhancement

#21 - Implement an exit code for failed optimizations

Issue - State: closed - Opened by greschd about 4 years ago
Labels: enhancement

#20 - Bump version to 0.3.2.

Pull Request - State: closed - Opened by greschd about 4 years ago

#20 - Bump version to 0.3.2.

Pull Request - State: closed - Opened by greschd about 4 years ago

#19 - Fix compatibility with AiiDA 1.4.

Pull Request - State: closed - Opened by greschd about 4 years ago

#19 - Fix compatibility with AiiDA 1.4.

Pull Request - State: closed - Opened by greschd about 4 years ago

#18 - Would be nice if optimize reported child calcjob PK

Issue - State: open - Opened by DanielMarchand about 4 years ago - 1 comment
Labels: enhancement

#18 - Would be nice if optimize reported child calcjob PK

Issue - State: open - Opened by DanielMarchand about 4 years ago - 1 comment
Labels: enhancement

#17 - Fix documentation

Pull Request - State: closed - Opened by greschd over 4 years ago

#17 - Fix documentation

Pull Request - State: closed - Opened by greschd over 4 years ago

#16 - Add type hints

Pull Request - State: closed - Opened by greschd over 4 years ago

#16 - Add type hints

Pull Request - State: closed - Opened by greschd over 4 years ago

#15 - Release v0.3.1

Pull Request - State: closed - Opened by greschd about 5 years ago

#15 - Release v0.3.1

Pull Request - State: closed - Opened by greschd about 5 years ago

#14 - Bump version number to 0.3.1.

Pull Request - State: closed - Opened by greschd about 5 years ago

#14 - Bump version number to 0.3.1.

Pull Request - State: closed - Opened by greschd about 5 years ago

#13 - Accept 'None' as xtol or ftol (translates to 'inf') in NelderMead engine.

Pull Request - State: closed - Opened by greschd about 5 years ago

#13 - Accept 'None' as xtol or ftol (translates to 'inf') in NelderMead engine.

Pull Request - State: closed - Opened by greschd about 5 years ago

#12 - Release v0.3.0

Pull Request - State: closed - Opened by greschd about 5 years ago

#12 - Release v0.3.0

Pull Request - State: closed - Opened by greschd about 5 years ago

#11 - Disable alternative formats on RTD.

Pull Request - State: closed - Opened by greschd about 5 years ago

#11 - Disable alternative formats on RTD.

Pull Request - State: closed - Opened by greschd about 5 years ago

#10 - Add sdist install on travis

Pull Request - State: closed - Opened by greschd about 5 years ago

#9 - Add mypy and some basic type annotations.

Pull Request - State: closed - Opened by greschd about 5 years ago

#8 - Extend Bisection, add wrapper workchains, drop Python2

Pull Request - State: closed - Opened by greschd about 5 years ago

#7 - Update documentation build

Pull Request - State: closed - Opened by greschd about 5 years ago

#5 - Replace unfortunate "calculation" naming

Issue - State: closed - Opened by greschd about 5 years ago

#4 - Check where "workchain" can be replaced with "process"

Issue - State: closed - Opened by greschd about 5 years ago

#3 - Release v0.2.0

Pull Request - State: closed - Opened by greschd about 5 years ago

#2 - Migrate to AiiDA v1

Pull Request - State: closed - Opened by greschd about 5 years ago

#1 - pip install broken

Issue - State: closed - Opened by ltalirz about 5 years ago