lucydot/effmass issues and pull requests

#67 - Error while reading data from the location folder

Issue - State: open - Opened by archie1511 8 months ago - 1 comment

#66 - Effective masses undetectable in a command line?

Issue - State: open - Opened by FPrith about 1 year ago - 1 comment

#65 - how to efficiently select the input parameters for the targeted bands

Issue - State: open - Opened by haiyuanwang2020 over 1 year ago - 2 comments

#64 - IndexError: list index out of range with FHI-aims

Issue - State: open - Opened by derLeere over 1 year ago - 2 comments

#63 - Automatic linting

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

#62 - Improve warning messages

Issue - State: open - Opened by lucydot over 1 year ago
Labels: maintenance

#61 - Improve label placement in output plots

Issue - State: open - Opened by lucydot over 1 year ago
Labels: good first issue

#60 - Refactor the `extrema` module

Issue - State: open - Opened by lucydot over 1 year ago
Labels: maintenance

#59 - Select direction

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

#58 - refactor: use `isinstance`

Pull Request - State: closed - Opened by e-kwsm almost 2 years ago - 1 comment

#57 - info file output by Octopus

Issue - State: closed - Opened by TS337653 almost 2 years ago - 2 comments

#56 - Add option to control figure size in plots plus fixes

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

#55 - bk option in effective mass

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

#54 - effmass

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

#53 - Segment selection

Issue - State: open - Opened by MariaEstRo almost 3 years ago - 4 comments
Labels: question

#52 - Compatability with BandUP

Issue - State: open - Opened by lucydot about 3 years ago - 1 comment
Labels: enhancement

#51 - Assertion Error

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

#50 - Fix dependency name in setup.cfg

Pull Request - State: closed - Opened by musicmrman99 over 3 years ago

#49 - Update installation info in docs site

Pull Request - State: closed - Opened by musicmrman99 over 3 years ago

#48 - Auto versioning

Pull Request - State: closed - Opened by musicmrman99 over 3 years ago - 1 comment

#47 - inconsistent segments

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

#46 - Version number is hard-coded in welcome message

Issue - State: closed - Opened by ajjackson over 3 years ago - 1 comment
Labels: bug

#45 - Extracting effective masses just for specific directions on VB and CB in a specific range on x-axis

Issue - State: closed - Opened by ghost over 3 years ago - 8 comments
Labels: enhancement

#44 - Octopus DFT

Pull Request - State: closed - Opened by afatt over 3 years ago - 1 comment

#43 - Octopus Compatibility

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

#42 - Octopus DFT Compatibility

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

#41 - FHI-AIMS: ValueError

Issue - State: closed - Opened by MariaEstRo over 3 years ago - 6 comments

#40 - AssertionError

Issue - State: closed - Opened by SUN123RAY over 3 years ago - 3 comments

#39 - Fix for output format change

Pull Request - State: closed - Opened by MatthiasGolomb almost 4 years ago - 3 comments

#38 - FHI-aims: IndexError: list index out of range

Issue - State: closed - Opened by ghost almost 4 years ago - 10 comments

#37 - Add vasprun parsing for split k-point paths

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

#36 - Use the howfairis tool

Issue - State: closed - Opened by lucydot almost 4 years ago - 1 comment

#35 - Small updates to reflect a change in Aims standard output and to fix a code mistake

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

#34 - Quantum espresso support.

Issue - State: open - Opened by hongyi-zhao almost 4 years ago - 5 comments
Labels: enhancement

#33 - command line interface

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

#32 - Cli

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

#31 - command line interface

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

#30 - Integration with ASE bandstructure object and Castep

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

#29 - Sort out dependencies

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

#28 - Update documentation

Issue - State: open - Opened by lucydot almost 4 years ago - 2 comments
Labels: documentation

#27 - Effmass interface with Pymatgen

Issue - State: open - Opened by lucydot almost 4 years ago - 2 comments
Labels: enhancement

#26 - Publications list

Issue - State: closed - Opened by lucydot almost 4 years ago - 1 comment

#25 - Effmass command line interface

Issue - State: closed - Opened by lucydot almost 4 years ago - 1 comment

#24 - Effmass interface with ASE

Issue - State: closed - Opened by lucydot almost 4 years ago - 2 comments
Labels: enhancement

#23 - How to select segments

Issue - State: open - Opened by OldrayHex about 4 years ago - 13 comments
Labels: question

#22 - partial occupancies error

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

#21 - Added test cases for Aims

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

#20 - Use effmass with AIMS

Issue - State: closed - Opened by lucydot almost 5 years ago - 1 comment
Labels: enhancement

#19 - Use of effmass with quantum espresso input

Issue - State: open - Opened by grayfaraday almost 5 years ago - 6 comments
Labels: enhancement

#18 - Fix "3-point least-squares" typo in `print_results`

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

#17 - Inputs doesnt read VASP OUTCAR PROCAR

Issue - State: closed - Opened by hududed over 5 years ago - 2 comments

#16 - Question / potential feature request: obtain band structure from vasprun.xml instead of PROCAR

Issue - State: closed - Opened by smheidrich over 5 years ago - 4 comments
Labels: enhancement

#15 - Procar updates

Pull Request - State: closed - Opened by bjmorgan almost 6 years ago

#14 - TypeError: list indices must be integers or slices, not tuple

Issue - State: closed - Opened by jnluy almost 6 years ago - 11 comments

#13 - Fix Link

Issue - State: open - Opened by lucydot almost 6 years ago
Labels: good first issue, documentation

#12 - Reword documentation

Issue - State: open - Opened by lucydot almost 6 years ago
Labels: good first issue, documentation

#11 - Renamed Data_Vasp to Data

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

#10 - New inputs.py

Pull Request - State: closed - Opened by MatthiasGolomb almost 6 years ago

#9 - Handling negative occupancy

Issue - State: closed - Opened by lucydot over 6 years ago - 5 comments

#8 - `python setup.py` test fails

Issue - State: open - Opened by lucydot over 6 years ago - 1 comment

#7 - Error loading a spin-polarised calculation

Issue - State: closed - Opened by ajjackson over 6 years ago - 11 comments

#6 - generate_segments docstring

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

#5 - Partial occupancy problems

Issue - State: closed - Opened by ajjackson over 6 years ago - 4 comments

#4 - Broken link to data directory

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

#3 - Feature request: Printable representation of Segment

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

#2 - Broken link to notebook from docs

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

#1 - SciPy is not imported, leading to errors in printing results

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

GitHub / lucydot/effmass issues and pull requests