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nmdl-mizo
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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
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4
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version pub
#44
jinlhr542
closed
1 month ago
0
modification
#43
jinlhr542
closed
7 months ago
0
allowing for fixing surface layers for get_bicrystal function
#42
jinlhr542
closed
8 months ago
0
Update tool.py
#41
jinlhr542
closed
8 months ago
0
Documentation modification
#40
jinlhr542
closed
8 months ago
0
Debug and add some information for automatic interface searching
#39
jinlhr542
closed
8 months ago
0
debug
#38
jinlhr542
closed
8 months ago
0
Automation for CNID sampling generating vasp inputs fixing ending atoms
#37
jinlhr542
closed
8 months ago
0
key name correct
#36
jinlhr542
closed
8 months ago
0
file error
#35
jinlhr542
closed
8 months ago
0
New module added to automatically generate heterogeneous interfaces
#34
jinlhr542
closed
8 months ago
0
change input from file into Structure objects of pymatgen
#33
jinlhr542
closed
8 months ago
0
Update interface_generator.py
#32
jinlhr542
closed
8 months ago
0
Update interface_generator.py
#31
jinlhr542
closed
8 months ago
0
import dot from numpy.
#30
hongyi-zhao
closed
2 months ago
1
Improvement by Hongyi
#29
jinlhr542
closed
8 months ago
0
fixed vaccum length bug
#28
jinlhr542
closed
8 months ago
0
Improvements in Structure Generation, File Handling and Documentation.
#27
hongyi-zhao
closed
8 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
10 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
10 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
0
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
0
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
0
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