nmdl-mizo interface_master issues

nmdl-mizo / interface_master

A python package building CSL or approximate CSL interfaces of any two lattices and computing cell of non-identical displacement (CNID).

MIT License

12 stars 4 forks source link

issues

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modification

#43 jinlhr542 closed 5 months ago
0
allowing for fixing surface layers for get_bicrystal function

#42 jinlhr542 closed 5 months ago
0
Update tool.py

#41 jinlhr542 closed 5 months ago
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Documentation modification

#40 jinlhr542 closed 6 months ago
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Debug and add some information for automatic interface searching

#39 jinlhr542 closed 6 months ago
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debug

#38 jinlhr542 closed 6 months ago
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Automation for CNID sampling generating vasp inputs fixing ending atoms

#37 jinlhr542 closed 6 months ago
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key name correct

#36 jinlhr542 closed 6 months ago
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file error

#35 jinlhr542 closed 6 months ago
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New module added to automatically generate heterogeneous interfaces

#34 jinlhr542 closed 6 months ago
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change input from file into Structure objects of pymatgen

#33 jinlhr542 closed 6 months ago
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Update interface_generator.py

#32 jinlhr542 closed 6 months ago
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Update interface_generator.py

#31 jinlhr542 closed 6 months ago
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import dot from numpy.

#30 hongyi-zhao closed 1 week ago
1
Improvement by Hongyi

#29 jinlhr542 closed 6 months ago
0
fixed vaccum length bug

#28 jinlhr542 closed 6 months ago
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Improvements in Structure Generation, File Handling and Documentation.

#27 hongyi-zhao closed 6 months ago
1
𝜆 does not appear in the inequalities shown on page 7 of the arxiv paper for this package.

#26 hongyi-zhao opened 7 months ago
2
About the description of MPInterfaces "it does not provide a straightforward usage to construct a specific CSL interface ..." in this package's arxiv paper.

#25 hongyi-zhao opened 7 months ago
2
Fix GitHub actions

#24 kiyou closed 1 year ago
0
replace STO cif

#23 jinlhr542 closed 1 year ago
1
unknown module (symmetric_tilt_co_111) is used in the tutorial jupyternotebook for Co GB

#22 kiyou opened 1 year ago
0
Obsoleted arguments are used in the tutorial .ipynb

#21 kiyou opened 1 year ago
0
Unused arguments

#20 kiyou closed 1 year ago
0
Request for docstring modification

#19 Na-Kawa opened 1 year ago
4
For public useage 2022-11-29

#18 jinlhr542 closed 1 year ago
0
Update sphinx and fix import lines in submodules

#17 kiyou closed 2 years ago
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Update Sphinx Docs

#16 kiyou closed 2 years ago
0
add and update docstrings

#15 kiyou closed 2 years ago
1
Add tutorial section into sphinx documentation from jupyternotebook files

#14 kiyou closed 2 years ago
0
update sphinx documentation and GitHub Actions

#13 kiyou closed 2 years ago
1
mirrorのときに原子が重なる問題を解決しました

#12 yhata1120 closed 2 years ago
0
change setup configurations

#11 kiyou closed 2 years ago
0
Add Sphinx API Documentation

#10 kiyou closed 2 years ago
0
Feature/cleanup

#9 kiyou closed 2 years ago
0
Add .devcontainer for development in vscode

#8 kiyou closed 3 years ago
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Feature/cleanup

#7 kiyou closed 3 years ago
0
[fix] modify cellcalc.py to fix #5

#6 kiyou closed 3 years ago
0
Evaluating integer does not work correctly for a negative value

#5 kiyou closed 3 years ago
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Refactoring

#4 kiyou opened 3 years ago
0
Feature/syntax

#3 kiyou closed 3 years ago
0
Update interface_generator.py and check the correction by kiyou

#2 jinlhr542 closed 3 years ago
0
Update cellcalc.py, see what changed

#1 jinlhr542 closed 3 years ago
0