Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / siesta-project/aiida_siesta_plugin issues and pull requests

#128 - How could I define or invoke a workflow using my own structure

Issue - State: closed - Opened by zc994646659 5 months ago - 2 comments

#127 - about the example_bandgap.py

Issue - State: closed - Opened by zc994646659 7 months ago - 12 comments

#125 - Unnecessary command in documentation?

Issue - State: open - Opened by pfebrer over 1 year ago - 1 comment

#124 - Grid and matrices output

Issue - State: open - Opened by pfebrer over 1 year ago - 16 comments

#123 - Change version

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

#123 - Change version

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

#122 - Flag to control MD.TypeOfRun when using LUA

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

#121 - Master

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

#121 - Master

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

#120 - Aiida 2.0 compatibility

Pull Request - State: closed - Opened by bosonie over 2 years ago - 1 comment

#120 - Aiida 2.0 compatibility

Pull Request - State: closed - Opened by bosonie over 2 years ago - 1 comment

#119 - Optimizer

Pull Request - State: closed - Opened by bosonie almost 3 years ago

#119 - Optimizer

Pull Request - State: closed - Opened by bosonie almost 3 years ago

#118 - Master

Pull Request - State: closed - Opened by bosonie almost 3 years ago

#118 - Master

Pull Request - State: closed - Opened by bosonie almost 3 years ago

#117 - Rel1.3.0

Pull Request - State: closed - Opened by bosonie almost 3 years ago - 1 comment

#116 - Wrong units of stress tensor

Issue - State: open - Opened by bosonie almost 3 years ago - 1 comment

#116 - Wrong units of stress tensor

Issue - State: open - Opened by bosonie almost 3 years ago - 1 comment

#116 - Wrong units of stress tensor

Issue - State: open - Opened by bosonie almost 3 years ago - 1 comment

#115 - Use the call to all exposed inputs

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

#115 - Use the call to all exposed inputs

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

#114 - New neb

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

#114 - New neb

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

#113 - Optical

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

#113 - Optical

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

#112 - Update develop from master

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

#112 - Update develop from master

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

#112 - Update develop from master

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

#111 - Release1.2.0

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

#111 - Release1.2.0

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

#110 - Revert pseudo

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

#109 - Enabled use of streams for the definition of IonData

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

#108 - Improve pre comm

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

#107 - Introduce aiida pseudo

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

#106 - Move files

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

#105 - Testci

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

#104 - Refactoring

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

#103 - Lua input namespace

Pull Request - State: closed - Opened by albgar almost 4 years ago - 1 comment

#102 - Add parsing of basis enthalpy from BASIS_ENTHALPY file

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

#101 - Dependencies: temporarily limit upper version of `sqlalchemy`

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

#100 - Ion in input

Pull Request - State: closed - Opened by bosonie almost 4 years ago - 6 comments

#99 - PDOS xml file compatibility issues

Issue - State: open - Opened by albgar almost 4 years ago

#98 - Some edits in siesta.rst

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

#98 - Some edits in siesta.rst

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

#97 - Floating dev

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

#96 - IonData and pao basis management

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

#95 - LUA Merge

Pull Request - State: closed - Opened by arsalan-akhtar about 4 years ago - 2 comments

#94 - LUA added

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

#93 - LUA added

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

#92 - LUA added

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

#92 - LUA added

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

#92 - LUA added

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

#91 - LUA Doc added

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

#91 - LUA Doc added

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

#90 - `Group` plugins use incorrect namespace

Issue - State: closed - Opened by sphuber about 4 years ago - 2 comments

#90 - `Group` plugins use incorrect namespace

Issue - State: closed - Opened by sphuber about 4 years ago - 2 comments

#89 - Fixed links pointing to the repository.

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

#88 - Fix the atom heuristic selection of basis sizes.

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

#86 - SiestaBaseWorkChain, handle "too many nodes" error

Issue - State: open - Opened by pfebrer about 4 years ago - 3 comments

#86 - SiestaBaseWorkChain, handle "too many nodes" error

Issue - State: open - Opened by pfebrer about 4 years ago - 3 comments

#86 - SiestaBaseWorkChain, handle "too many nodes" error

Issue - State: open - Opened by pfebrer about 4 years ago - 3 comments

#85 - Master

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

#85 - Master

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

#84 - Why SiestaBaseWorkchain doesn't shift bands to the fermi level?

Issue - State: open - Opened by pfebrer over 4 years ago - 1 comment
Labels: question

#84 - Why SiestaBaseWorkchain doesn't shift bands to the fermi level?

Issue - State: open - Opened by pfebrer over 4 years ago - 1 comment
Labels: question

#83 - Fixed bugs of `SequentialConverger`.

Pull Request - State: closed - Opened by bosonie over 4 years ago - 7 comments

#82 - Bugs in `SequentialConverger`

Issue - State: closed - Opened by bosonie over 4 years ago - 1 comment

#82 - Bugs in `SequentialConverger`

Issue - State: closed - Opened by bosonie over 4 years ago - 1 comment

#81 - Rel1.1.1

Pull Request - State: closed - Opened by bosonie over 4 years ago - 1 comment

#80 - Fix bands path

Pull Request - State: closed - Opened by bosonie over 4 years ago - 3 comments

#80 - Fix bands path

Pull Request - State: closed - Opened by bosonie over 4 years ago - 3 comments

#79 - SiestaCalculation bandskpoints input does not accept KpointsData with cartesian=False

Issue - State: closed - Opened by pfebrer over 4 years ago - 11 comments
Labels: bug

#78 - Tutorial1

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

#77 - Minor issues with setup.json pointed out by AiiDA registry

Issue - State: closed - Opened by ltalirz over 4 years ago - 3 comments

#77 - Minor issues with setup.json pointed out by AiiDA registry

Issue - State: closed - Opened by ltalirz over 4 years ago - 3 comments

#76 - Iterator params help

Pull Request - State: closed - Opened by pfebrer over 4 years ago - 6 comments

#75 - Master

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

#74 - Rel 1.1.0

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

#73 - Adding LUAData and Ghost

Pull Request - State: closed - Opened by arsalan-akhtar over 4 years ago - 2 comments

#72 - Siesta cal protocol

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

#71 - Wrote documentation for the SiestaSequentialConverger

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

#70 - Prepare ground releases

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

#69 - Change atomic tools

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

#69 - Change atomic tools

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

#68 - Increased mesh-cutoff of Li and Mg, changed documentation accordingly.

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

#68 - Increased mesh-cutoff of Li and Mg, changed documentation accordingly.

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

#67 - Few changes to the documentation.

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

#67 - Few changes to the documentation.

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

#66 - Protocols review

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

#66 - Protocols review

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

#65 - Iter tests

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

#65 - Iter tests

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

#64 - Fix requirement of exposed ports.

Pull Request - State: closed - Opened by bosonie over 4 years ago - 3 comments

#64 - Fix requirement of exposed ports.

Pull Request - State: closed - Opened by bosonie over 4 years ago - 3 comments

#63 - Using BaseIterator for the EOS workflow

Pull Request - State: closed - Opened by pfebrer over 4 years ago - 15 comments

#63 - Using BaseIterator for the EOS workflow

Pull Request - State: closed - Opened by pfebrer over 4 years ago - 15 comments