Ecosyste.ms: Issues

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GitHub / mretegan/crispy issues and pull requests

#82 - Application crashes on an unsuccessful calculation

Issue - State: open - Opened by mretegan about 1 month ago

#81 - Error on launching Crispy

Issue - State: closed - Opened by yohey-uemura 7 months ago - 1 comment

#80 - Please, provide a GitHub link to the docs

Issue - State: open - Opened by Anselmoo over 1 year ago

#79 - PyPI package outdated, broken

Issue - State: closed - Opened by mueslo about 2 years ago - 1 comment

#78 - Clean-up the configuration

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

#77 - Change to the recommended API

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

#76 - Fix dependencies

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

#75 - Changing Gamma and Gaussian broadening in XAS calculations has no effect

Issue - State: closed - Opened by kkummer over 2 years ago - 1 comment

#74 - Remove dependency on cloud-sptheme package

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

#73 - Update CI

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

#72 - Fix Qt signal use

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

#71 - Fix status bar logging

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

#70 - Remove legacy Python 2 constructs

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

#69 - Invalid path in the config file

Issue - State: closed - Opened by mretegan over 2 years ago - 1 comment

#68 - Make qtpy the interface to Qt

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

#67 - Update to PyQt6

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

#66 - Fix Jinja2 pin

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

#65 - Fix Jinja2 pin

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

#64 - Fix Jinja2 pin

Issue - State: closed - Opened by mretegan over 2 years ago

#63 - Pin Jinja2 version

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

#62 - Fix documentation

Issue - State: closed - Opened by mretegan over 2 years ago

#61 - Fix documentation

Issue - State: closed - Opened by mretegan over 2 years ago

#60 - Update to PySide6

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

#59 - Update to qtpy

Issue - State: closed - Opened by mretegan over 2 years ago - 1 comment

#58 - Update to PyQt6

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

#57 - Update to PyQt6

Issue - State: closed - Opened by mretegan over 2 years ago - 2 comments

#56 - Update setup.cfg

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

#55 - Refactors

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

#54 - Refactoring

Issue - State: closed - Opened by Anselmoo over 2 years ago - 2 comments

#53 - Add tests

Pull Request - State: closed - Opened by mretegan about 3 years ago

#52 - Crispy Notebook Temperature Error

Issue - State: closed - Opened by WilliamJudge94 over 3 years ago - 2 comments

#51 - Crispy Not Working

Issue - State: closed - Opened by WilliamJudge94 over 3 years ago - 10 comments

#49 - Permission denied Quanty executable

Issue - State: closed - Opened by mretegan almost 4 years ago - 1 comment
Labels: bug, 0.7.x

#48 - Calculations clean up

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

#47 - Plotting on ubuntu (silx error)

Issue - State: closed - Opened by cwgaldino almost 4 years ago - 2 comments
Labels: bug, 0.7.x

#46 - Change init methods for some classes

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

#45 - Notebook calc.run() Error

Issue - State: closed - Opened by WilliamJudge94 about 4 years ago - 3 comments

#44 - pip Install Issue

Issue - State: closed - Opened by WilliamJudge94 about 4 years ago - 1 comment

#43 - crispy-plotting

Issue - State: closed - Opened by mahendra-147 about 4 years ago - 1 comment

#42 - Use wildcards for artifacts

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

#41 - Build binaries

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

#40 - Build the app for macOS

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

#39 - Remove matrix from Python setup

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

#38 - Simplify the Github actions

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

#37 - Python Import Crispy Function

Issue - State: closed - Opened by WilliamJudge94 about 4 years ago - 1 comment

#36 - Suggestion for #35 - CI/CD-Pipeline

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

#35 - Implementing a CI/CD pipeline for Python and Anaconda

Issue - State: closed - Opened by Anselmoo over 4 years ago - 2 comments

#34 - Wrong number of electrons in RIXS MLCT

Issue - State: closed - Opened by mretegan over 4 years ago - 2 comments
Labels: bug, 0.7.x

#33 - Wrong equations for the MLCT on-site energies

Issue - State: closed - Opened by mretegan over 4 years ago - 2 comments
Labels: bug, 0.7.x

#32 - Move the config to package level

Issue - State: closed - Opened by mretegan over 4 years ago

#31 - Wrong parameters for the 4f elements

Issue - State: closed - Opened by mretegan over 4 years ago - 1 comment
Labels: bug, 0.7.x

#30 - Update setup_cx_freeze.py

Pull Request - State: closed - Opened by Anselmoo almost 5 years ago - 1 comment

#29 - Loading Quanty Simulations

Issue - State: open - Opened by Anselmoo over 5 years ago - 2 comments

#28 - MLCTs for 2p3dRIXS

Pull Request - State: closed - Opened by Anselmoo over 5 years ago - 1 comment

#27 - Update 3d_D4h_RIXS_2p3d.lua

Pull Request - State: closed - Opened by Anselmoo over 5 years ago - 1 comment

#26 - Transition operators for quadrupolar transitions are wrong

Issue - State: closed - Opened by mretegan over 5 years ago - 1 comment
Labels: bug, 0.7.x

#25 - XPS and XES with charge transfer (ligand field) are not correct

Issue - State: closed - Opened by mretegan over 5 years ago - 1 comment
Labels: bug, 0.7.x

#24 - MLCT vs. LMCT performance for d4-d6 elements

Issue - State: closed - Opened by Anselmoo over 5 years ago - 1 comment

#23 - Td ligand field calculations are missing a ligand shell

Issue - State: open - Opened by mretegan over 5 years ago
Labels: bug, 0.7.x, 0.8.0

#22 - XES parameters are not correct for the intermediate Hamiltonian

Issue - State: closed - Opened by mretegan over 5 years ago
Labels: bug, 0.7.x

#21 - Installation problems

Issue - State: closed - Opened by tschoonj over 5 years ago - 3 comments
Labels: bug

#20 - Wrong parameters for 5d transition metals

Issue - State: closed - Opened by mretegan almost 6 years ago - 1 comment
Labels: bug, 0.7.x

#19 - small adjustments for clarity and usability

Pull Request - State: closed - Opened by skuschel almost 6 years ago - 1 comment

#18 - Set up CI with Azure Pipelines

Pull Request - State: closed - Opened by mretegan over 6 years ago

#15 - X-axis shift in RIXS calculations

Issue - State: closed - Opened by mretegan over 6 years ago - 1 comment
Labels: bug

#14 - Add option to hide legend

Issue - State: open - Opened by mretegan over 6 years ago

#13 - Use QSettings from Qt

Issue - State: closed - Opened by mretegan over 6 years ago - 1 comment

#12 - Save main window size

Issue - State: closed - Opened by mretegan over 6 years ago - 1 comment

#11 - Add curve stats widget

Issue - State: open - Opened by mretegan over 6 years ago

#10 - Add XES simulations for 3d transition metals

Issue - State: closed - Opened by mretegan over 6 years ago - 2 comments

#9 - Polarization dependent XAS and RIXS calculations

Issue - State: open - Opened by mretegan over 6 years ago

#8 - Add XMCD and X(M)LD calculations for quadrupole transition operators

Issue - State: closed - Opened by mretegan over 6 years ago - 1 comment

#7 - XPS spectrum plot

Issue - State: closed - Opened by mretegan over 6 years ago - 1 comment

#6 - Number of configurations in XPS

Issue - State: closed - Opened by mretegan over 6 years ago - 1 comment

#5 - Add a calculation details widget

Issue - State: closed - Opened by mretegan over 6 years ago - 1 comment

#4 - Bug check relating to partition function

Issue - State: closed - Opened by mpmdean over 7 years ago - 1 comment

#3 - Bug check relating to B operator

Issue - State: closed - Opened by mpmdean over 7 years ago - 1 comment

#2 - Implement save and load functions for simulations

Issue - State: closed - Opened by mretegan over 8 years ago

#1 - Automatically determine the number of points

Issue - State: closed - Opened by mretegan over 8 years ago