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Title: Python library by nedtaylor · Pull Request #36 · ExeQuantCode/ARTEMIS · GitHub

Open Graph Title: Python library by nedtaylor · Pull Request #36 · ExeQuantCode/ARTEMIS

X Title: Python library by nedtaylor · Pull Request #36 · ExeQuantCode/ARTEMIS

Description: Fortran code for generating and predicting interfaces between two crystals. - Python library by nedtaylor · Pull Request #36 · ExeQuantCode/ARTEMIS

Opengraph URL: https://github.com/ExeQuantCode/ARTEMIS/pull/36

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Commits139 (139)https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits
Checkshttps://github.com/ExeQuantCode/ARTEMIS/pull/36/checks
Files changedhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/files
Python libraryhttps://github.com/ExeQuantCode/ARTEMIS/pull/36#top
nedtaylorhttps://github.com/nedtaylor
mainhttps://github.com/ExeQuantCode/ARTEMIS/tree/main
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https://github.com/nedtaylor
nedtaylorhttps://github.com/nedtaylor
May 1, 2025https://github.com/ExeQuantCode/ARTEMIS/pull/36#issue-3033779391
Please reload this pagehttps://github.com/ExeQuantCode/ARTEMIS/pull/36
nedttaylorhttps://github.com/nedttaylor
April 24, 2025 13:43https://github.com/ExeQuantCode/ARTEMIS/pull/36#commits-pushed-ee32b47
https://github.com/nedttaylor
https://github.com/nedtaylor
Handle single-atom cellhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/ee32b47129ea883171ad293c9de9e317ab86d10c
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Remove test printinghttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/680dee1980177bd4e5d07035f63170e320b5b61e
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Fix unallocated shift arrayhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/4f691996940eef9b403d71aaac7339a91007921a
4f69199https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/4f691996940eef9b403d71aaac7339a91007921a
https://github.com/nedtaylor
Fix natom checkhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/fb7d7aac059c6a9e9f583099bf61dbeaf4c9b9b2
fb7d7aahttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/fb7d7aac059c6a9e9f583099bf61dbeaf4c9b9b2
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Add termination fail taghttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/7f6bbd8eb538b59be898f6abb3ec17721341bc0a
7f6bbd8https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/7f6bbd8eb538b59be898f6abb3ec17721341bc0a
https://github.com/nedtaylor
Fix typohttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/532fda13163960d15a7c82556166d7d40ea6056c
532fda1https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/532fda13163960d15a7c82556166d7d40ea6056c
https://github.com/nedtaylor
Fix miller plane printinghttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/8922da9bd3077cc7bfe99032be6038e049cfc52e
8922da9https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/8922da9bd3077cc7bfe99032be6038e049cfc52e
https://github.com/nedtaylor
Fix out of boundshttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/2e94a53a73b09e96406dee030878f3e53cb83805
2e94a53https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/2e94a53a73b09e96406dee030878f3e53cb83805
https://github.com/nedtaylor
Reduce array temporary warningshttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/f794a0aef5695eff6fd28e1de319c34bc4640828
f794a0ahttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/f794a0aef5695eff6fd28e1de319c34bc4640828
https://github.com/nedtaylor
Improve error printinghttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/5d066d9892a69f11dbb06d9d7a7e7d134109663d
5d066d9https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/5d066d9892a69f11dbb06d9d7a7e7d134109663d
https://github.com/nedtaylor
Fix separation sizehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/5de486f27a9a612eac24b685057b81c64ab2fec3
5de486fhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/5de486f27a9a612eac24b685057b81c64ab2fec3
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Increase separation search heighthttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/6cc09b4b2a3a74d26eb0c08560732226124989da
6cc09b4https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/6cc09b4b2a3a74d26eb0c08560732226124989da
https://github.com/nedtaylor
Update error printinghttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/44bd18b8d7576cbccd08adb724238c509f915cee
44bd18bhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/44bd18b8d7576cbccd08adb724238c509f915cee
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Fix symmetryhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/f631030c8efd3d30df68117c226f492ea91fafad
f631030https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/f631030c8efd3d30df68117c226f492ea91fafad
https://github.com/nedtaylor
Add slab thickness input parameterhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/98da3131d6195947a4fc40d4471d1813a14c3c76
98da313https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/98da3131d6195947a4fc40d4471d1813a14c3c76
https://github.com/nedtaylor
Remove commented codehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/3a5e4f275c2a71303fafccc1d9482c62da250c83
3a5e4f2https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/3a5e4f275c2a71303fafccc1d9482c62da250c83
https://github.com/nedtaylor
Handle terminationshttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/4d6507fd0eddd670947f5865e0380669c5211f37
4d6507fhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/4d6507fd0eddd670947f5865e0380669c5211f37
https://github.com/nedtaylor
Improve formattinghttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/f0d6f12c1fc4de59e6d9622b78d25bedea611b3c
f0d6f12https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/f0d6f12c1fc4de59e6d9622b78d25bedea611b3c
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Improve helphttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/8b8310de05c3b28d7f9b02fe2a76ef248bc06bd2
8b8310dhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/8b8310de05c3b28d7f9b02fe2a76ef248bc06bd2
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Update ignore listhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/3be73788323b72572f319b9f4938470557623b28
3be7378https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/3be73788323b72572f319b9f4938470557623b28
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Update filepathshttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/cab5f1fb24d3cef018a377b508a7b68ed0c190e3
cab5f1fhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/cab5f1fb24d3cef018a377b508a7b68ed0c190e3
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Add new build methodshttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/7512fb38c54dcc68806d6028ac7473046de5ced8
7512fb3https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/7512fb38c54dcc68806d6028ac7473046de5ced8
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Remove fileshttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/3f22c92940f551947a3ab83778e2d8343c57e3a5
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Update typeshttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/032ffcd079564eb990c1b2d2ac1ff4bc7f9a05ae
032ffcdhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/032ffcd079564eb990c1b2d2ac1ff4bc7f9a05ae
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Move filehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/45e8f269673438b17b078f8a1da22cbbbf25c553
45e8f26https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/45e8f269673438b17b078f8a1da22cbbbf25c553
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Update makefilehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/49ac7045609596e7adaf6e0aa886938f78e55ee9
49ac704https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/49ac7045609596e7adaf6e0aa886938f78e55ee9
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Add termination generator typehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/1ad29991b97d46eeb87041271712d9b17d806975
1ad2999https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/1ad29991b97d46eeb87041271712d9b17d806975
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Update interface generator typehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/ccd911b476218a62250e05ceb388617b228d1a5d
ccd911bhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/ccd911b476218a62250e05ceb388617b228d1a5d
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Fix type conversion errorshttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/1275164ccfade15c9f708c63f0448bc86a845d16
1275164https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/1275164ccfade15c9f708c63f0448bc86a845d16
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Add terminations modulehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/5935b147a274b33e2f8addfc24a81ace36a6c211
5935b14https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/5935b147a274b33e2f8addfc24a81ace36a6c211
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May 3, 2025 07:20https://github.com/ExeQuantCode/ARTEMIS/pull/36#commits-pushed-2f0cfa8
https://github.com/nedtaylor
Fix file overwritinghttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/2f0cfa81ee96a3f1125829a56333517d3fe9b0d9
2f0cfa8https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/2f0cfa81ee96a3f1125829a56333517d3fe9b0d9
https://github.com/nedtaylor
Handle stoichiometric breaking terminationshttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/f9b612f071ffe369635561133b6d619a42694f0f
f9b612fhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/f9b612f071ffe369635561133b6d619a42694f0f
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Remove dev commentshttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/4a215be071de70af30fb0f0d271dcc513482928c
4a215behttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/4a215be071de70af30fb0f0d271dcc513482928c
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Improve documentationhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/31cf4f749466be147d881c09b961aaeab1e146ba
31cf4f7https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/31cf4f749466be147d881c09b961aaeab1e146ba
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Add details regarding optional parametershttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/8f92f23867a8cbc5a860830043c34acfbd749ba3
8f92f23https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/8f92f23867a8cbc5a860830043c34acfbd749ba3
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Link to RAFFLEhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/b58fd6b388977c4e8ba80894721b22c2d75ba5d9
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Improve referencinghttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/25c59ae1a49f3d5c22e6031cda616f611b29c7f3
25c59aehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/25c59ae1a49f3d5c22e6031cda616f611b29c7f3
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Fix git referenceshttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/ce31076a86078369608df2012f9ac9ca2ef50b24
ce31076https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/ce31076a86078369608df2012f9ac9ca2ef50b24
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Fix git referenceshttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/c16832083e0f5ddc41f10a135b2da4a2664bffee
c168320https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/c16832083e0f5ddc41f10a135b2da4a2664bffee
https://github.com/nedtaylor
Fix indentation issues and git referencehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/a9e69ee9fb9d343c26ab3ef1136cc28c27704024
a9e69eehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/a9e69ee9fb9d343c26ab3ef1136cc28c27704024
https://github.com/nedtaylor
Fix install guidehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/2c42fdfbd665212a84d4e1de148fe57d406c6672
2c42fdfhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/2c42fdfbd665212a84d4e1de148fe57d406c6672
https://github.com/nedtaylor
Improve branch referencehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/abd9a0f593e0ddb2b7f397365e5ab974e42018f4
abd9a0fhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/abd9a0f593e0ddb2b7f397365e5ab974e42018f4
https://github.com/nedtaylor
Improve branch referencehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/b6ef1a539fc48aff58208f33d6d5ea6ffb66e13d
b6ef1a5https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/b6ef1a539fc48aff58208f33d6d5ea6ffb66e13d
https://github.com/nedtaylor
Fix formattinghttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/3a83aae036cc3557fc8d614f8df3e5eee2ada346
3a83aaehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/3a83aae036cc3557fc8d614f8df3e5eee2ada346
https://github.com/nedtaylor
Fix references to RAFFLEhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/26b839eab8ef36c49e635f7f33fa99c127935f10
26b839ehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/26b839eab8ef36c49e635f7f33fa99c127935f10
https://github.com/nedtaylor
Fix verbosity printinghttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/f177ef074d858e2372e5532b91b5ed04edf8072e
f177ef0https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/f177ef074d858e2372e5532b91b5ed04edf8072e
https://github.com/nedtaylor
Fix mirror and add new testhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/b0d2e8dd36bb4573a4754de85ff0583c12d7984d
b0d2e8dhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/b0d2e8dd36bb4573a4754de85ff0583c12d7984d
https://github.com/nedtaylor
Fix slab thickness handlinghttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/503e5a870d25f60f0854643def4660968a3b825b
503e5a8https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/503e5a870d25f60f0854643def4660968a3b825b
https://github.com/nedtaylor
Improve printinghttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/b3e61cd1c03f13a4c4dc9fb8a360b45ba06a4b37
b3e61cdhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/b3e61cd1c03f13a4c4dc9fb8a360b45ba06a4b37
https://github.com/nedtaylor
Fix generator membershttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/98c180b9e867d48496cff5f4ac355cc87228892b
98c180bhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/98c180b9e867d48496cff5f4ac355cc87228892b
https://github.com/nedtaylor
Fix kernel crashinghttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/0490b6721490fc3c154529ec59060e0e3f0f63d1
0490b67https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/0490b6721490fc3c154529ec59060e0e3f0f63d1
https://github.com/nedtaylor
Reduce compilation warningshttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/265b69ed22f39965aa00a524832a07d2ce618f75
265b69ehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/265b69ed22f39965aa00a524832a07d2ce618f75
https://github.com/nedtaylor
Rename restart procedurehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/3f96fce34eb52dcb7013d879b6e1c73f3429ba7b
3f96fcehttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/3f96fce34eb52dcb7013d879b6e1c73f3429ba7b
https://github.com/nedtaylor
Improve structure list handlinghttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/cc1479ab728d864bab4c13ddf852a7efe502ebc6
cc1479ahttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/cc1479ab728d864bab4c13ddf852a7efe502ebc6
https://github.com/nedtaylor
Set up elastic tensor handlinghttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/04bcbbac5ca21d2f0b4b5a7899f59811209b6450
04bcbbahttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/04bcbbac5ca21d2f0b4b5a7899f59811209b6450
https://github.com/nedtaylor
Fix shiftinghttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/9b564f60112fc5410c99387a8d4db45f3864b952
9b564f6https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/9b564f60112fc5410c99387a8d4db45f3864b952
https://github.com/nedtaylor
Fix memory errorhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/1910e49ca85569d6e812ef47d1c535b39a10213e
1910e49https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/1910e49ca85569d6e812ef47d1c535b39a10213e
https://github.com/nedtaylor
Improve argument documentationhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/503d9a699b6d73ce1e67ead65c8d96de4d852955
503d9a6https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/503d9a699b6d73ce1e67ead65c8d96de4d852955
https://github.com/nedtaylor
Add warning suppressionhttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/ecd2efcdc952941a44486662bd8c2e5a7de3169f
ecd2efchttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/ecd2efcdc952941a44486662bd8c2e5a7de3169f
https://github.com/nedtaylor
Improve warning handlinghttps://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/465ec2128ae2b2894bbf29dfab812280be6876ae
465ec21https://github.com/ExeQuantCode/ARTEMIS/pull/36/commits/465ec2128ae2b2894bbf29dfab812280be6876ae
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