Ecosyste.ms: Issues

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GitHub / Probe-Particle/ppafm issues and pull requests

#123 - Revert "Clean dev"

Pull Request - State: closed - Opened by ProkopHapala over 1 year ago - 7 comments

#122 - Removed "For developers" sections from README

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

#121 - Clean dev

Pull Request - State: closed - Opened by ProkopHapala over 1 year ago - 3 comments

#119 - Delete dev folder from root directory

Issue - State: closed - Opened by yakutovicha over 1 year ago - 7 comments

#118 - Enable smoke tests.

Issue - State: closed - Opened by yakutovicha over 1 year ago
Labels: enhancement, chore

#117 - Add pytest and github action to execute it

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

#116 - Report test coverage with Codecov

Issue - State: closed - Opened by yakutovicha over 1 year ago - 2 comments
Labels: enhancement

#115 - Add GitHub actions to automate testing.

Issue - State: closed - Opened by yakutovicha over 1 year ago
Labels: enhancement

#114 - Add basic testing to the package

Issue - State: closed - Opened by yakutovicha over 1 year ago
Labels: enhancement

#113 - readNumsUpTo breaks text file reading

Issue - State: closed - Opened by NikoOinonen over 1 year ago - 7 comments
Labels: bug

#112 - Wrong sign for Pauli force in density-overlap model

Issue - State: closed - Opened by NikoOinonen over 1 year ago - 6 comments
Labels: bug

#111 - Fixed run.bat for the graphene example.

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

#110 - Problems on compiling ppafm in Win11

Issue - State: closed - Opened by lycheehoo over 1 year ago - 28 comments
Labels: help wanted

#109 - BUG

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

#106 - Build wheels for different operating systems.

Issue - State: closed - Opened by yakutovicha over 1 year ago - 14 comments
Labels: enhancement

#105 - Automate release process on PyPi.

Issue - State: closed - Opened by yakutovicha over 1 year ago - 1 comment

#104 - Prepare release 0.2.0a1

Pull Request - State: closed - Opened by yakutovicha over 1 year ago - 4 comments

#103 - IO related code reorganization

Pull Request - State: closed - Opened by NikoOinonen over 1 year ago - 9 comments

#102 - Install top-level scripts with pip.

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

#101 - Fix for deprecated use of numpy data types.

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

#99 - Install scripts with pip

Issue - State: closed - Opened by NikoOinonen over 1 year ago
Labels: enhancement

#98 - Update .gitignore.

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

#97 - Make class to store Geometry and Grid data

Issue - State: open - Opened by ProkopHapala over 1 year ago
Labels: enhancement

#96 - Add black.

Pull Request - State: closed - Opened by yakutovicha over 1 year ago - 14 comments

#95 - Fix Axes.ArtistList usage in GUIWidgets

Issue - State: closed - Opened by NikoOinonen over 1 year ago - 1 comment
Labels: bug

#94 - Enable black

Issue - State: closed - Opened by yakutovicha over 1 year ago
Labels: enhancement, question, chore

#93 - Adhere to the Python naming convention (PEP8)

Issue - State: open - Opened by yakutovicha over 1 year ago
Labels: chore

#92 - C++ code compilation for pip wheel

Pull Request - State: closed - Opened by NikoOinonen over 1 year ago - 7 comments

#91 - starting to work on #53;

Pull Request - State: closed - Opened by ondrejkrejci over 1 year ago - 6 comments

#90 - doDensity option needed in the pyridineDensOverlap example

Issue - State: closed - Opened by mondracek over 1 year ago - 1 comment
Labels: duplicate

#89 - Non-ASCII character(s) in example params.ini

Issue - State: closed - Opened by mondracek over 1 year ago - 3 comments

#88 - fixes installation description in README.md

Pull Request - State: closed - Opened by mondracek over 1 year ago - 2 comments
Labels: documentation

#87 - Prokop damp func

Pull Request - State: closed - Opened by ProkopHapala over 1 year ago - 2 comments

#86 - Errors in the installaton description in README.md

Issue - State: closed - Opened by mondracek over 1 year ago - 1 comment
Labels: documentation

#85 - Testing infrastructure.

Issue - State: closed - Opened by yakutovicha over 1 year ago - 2 comments
Labels: compound

#84 - Performance optimizations

Issue - State: open - Opened by NikoOinonen almost 2 years ago - 2 comments
Labels: enhancement

#83 - Option to use Morse potential

Issue - State: open - Opened by NikoOinonen almost 2 years ago - 3 comments
Labels: enhancement

#82 - GUI: Option to choose compute device on systems with multiple OpenCL devices.

Issue - State: open - Opened by NikoOinonen almost 2 years ago
Labels: enhancement

#81 - Add documentation of the GUI to the wiki

Issue - State: closed - Opened by NikoOinonen almost 2 years ago - 2 comments
Labels: enhancement, documentation

#80 - Some way of saving/loading state in GUI

Issue - State: closed - Opened by NikoOinonen almost 2 years ago
Labels: enhancement

#76 - Using the aliases of builtin types like `numpy.int` is deprecated

Issue - State: closed - Opened by yakutovicha almost 2 years ago - 1 comment

#75 - Code compilation during pip install

Issue - State: closed - Opened by NikoOinonen almost 2 years ago - 14 comments

#74 - Graphene-spline example broken

Issue - State: open - Opened by ondrejkrejci almost 2 years ago - 1 comment

#71 - CoPc-IETS example corrupted

Issue - State: closed - Opened by ondrejkrejci almost 2 years ago - 7 comments
Labels: bug

#70 - pyridineDensOverlap example broken

Issue - State: closed - Opened by ondrejkrejci almost 2 years ago - 4 comments
Labels: bug

#69 - Mac install issue

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

#68 - Ideas for an overview manuscript

Issue - State: closed - Opened by ondrejkrejci almost 2 years ago - 76 comments
Labels: enhancement, documentation

#64 - GUI dependencies into pyproject.toml

Issue - State: closed - Opened by ondrejkrejci almost 2 years ago - 7 comments
Labels: enhancement

#61 - Extend .gitignore file for typical things excluded in Python projects.

Issue - State: closed - Opened by yakutovicha almost 2 years ago - 1 comment
Labels: enhancement, chore

#60 - Enable pre-commit checks

Issue - State: closed - Opened by yakutovicha almost 2 years ago - 1 comment
Labels: enhancement, question, chore

#56 - Add initial Docker setup.

Pull Request - State: closed - Opened by yakutovicha almost 2 years ago - 3 comments

#55 - Dockerize the ProbeParticle code.

Issue - State: closed - Opened by yakutovicha almost 2 years ago
Labels: enhancement

#53 - Saving the LJ forcefield in numpy format with generateLJFF.py raises error

Issue - State: closed - Opened by LauriKurki almost 2 years ago - 12 comments
Labels: bug

#52 - Handling missing lattice vectors

Issue - State: closed - Opened by NikoOinonen almost 2 years ago - 12 comments

#48 - Choose damping function for vdW

Issue - State: closed - Opened by NikoOinonen almost 2 years ago - 15 comments

#47 - Write doc-strings for all relevant Python code

Issue - State: open - Opened by NikoOinonen about 2 years ago - 2 comments
Labels: documentation

#46 - Organize file IO related functions to their own module

Issue - State: closed - Opened by NikoOinonen about 2 years ago - 1 comment
Labels: enhancement

#42 - GUI enhancements

Issue - State: open - Opened by NikoOinonen about 2 years ago - 3 comments
Labels: enhancement

#39 - missing automatic loading of FHI-aims geometry.in and VASP POSCAR files

Issue - State: closed - Opened by ondrejkrejci about 2 years ago - 4 comments
Labels: enhancement

#35 - FDBM on GPU

Issue - State: closed - Opened by NikoOinonen about 2 years ago - 3 comments
Labels: enhancement

#27 - Windows support

Issue - State: closed - Opened by NikoOinonen about 2 years ago - 19 comments
Labels: enhancement