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Title: Development by nedtaylor · Pull Request #32 · ExeQuantCode/RAFFLE · GitHub

Open Graph Title: Development by nedtaylor · Pull Request #32 · ExeQuantCode/RAFFLE

X Title: Development by nedtaylor · Pull Request #32 · ExeQuantCode/RAFFLE

Description: Fortran and Python library to predict material interface structures - Development by nedtaylor · Pull Request #32 · ExeQuantCode/RAFFLE

Open Graph Description: Added: More examples Benchmarks Changed: Improved examples Fixed: Consideration of image repeat atoms Fortran executable database reading

X Description: Added: More examples Benchmarks Changed: Improved examples Fixed: Consideration of image repeat atoms Fortran executable database reading

Opengraph URL: https://github.com/ExeQuantCode/RAFFLE/pull/32

X: @github

direct link

Domain: github.com

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https://github.com/nedtaylor
nedtaylorhttps://github.com/nedtaylor
Jan 29, 2025https://github.com/ExeQuantCode/RAFFLE/pull/32#issue-2818747915
Please reload this pagehttps://github.com/ExeQuantCode/RAFFLE/pull/32
Please reload this pagehttps://github.com/ExeQuantCode/RAFFLE/pull/32
nedtaylorhttps://github.com/nedtaylor
October 31, 2024 09:26https://github.com/ExeQuantCode/RAFFLE/pull/32#commits-pushed-ffa9976
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360855bhttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/360855b70e7f1b66d6186abb8d6fb9d7a15318fd
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Add plotting notebookhttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/343dce40c954409758f1445957c8605384d393da
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5852b8dhttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/5852b8d08bfbb889d0d1dd3e231f75b4350b443a
https://github.com/nedtaylor
Fix indentationhttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/05a9163b8580d478678d586ed4b83eaf81645fc0
05a9163https://github.com/ExeQuantCode/RAFFLE/pull/32/commits/05a9163b8580d478678d586ed4b83eaf81645fc0
https://github.com/nedtaylor
Fix workflowshttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/f45fd554190eb209fa17cd2a4d38ee293f84358c
f45fd55https://github.com/ExeQuantCode/RAFFLE/pull/32/commits/f45fd554190eb209fa17cd2a4d38ee293f84358c
https://github.com/nedtaylor
Add ase installationhttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/6602dc710d7ed36ec3c17b24334633ea5db21686
6602dc7https://github.com/ExeQuantCode/RAFFLE/pull/32/commits/6602dc710d7ed36ec3c17b24334633ea5db21686
https://github.com/nedtaylor
Change branch pageshttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/e3bd3cedeaf1c96e84c6efa24859ed4484228135
e3bd3cehttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/e3bd3cedeaf1c96e84c6efa24859ed4484228135
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Update python version compatibilityhttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/9865ddf27c4654f9cfe7f8c3078215a41103d857
9865ddfhttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/9865ddf27c4654f9cfe7f8c3078215a41103d857
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Comment out other branch handlinghttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/b1e51f92e1049af3fbd76144e405049764fce9cd
b1e51f9https://github.com/ExeQuantCode/RAFFLE/pull/32/commits/b1e51f92e1049af3fbd76144e405049764fce9cd
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Update filenameshttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/46d2beafc3e4bf65211cda3d4ab9ab97551193b2
46d2beahttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/46d2beafc3e4bf65211cda3d4ab9ab97551193b2
https://github.com/nedtaylor
Revert filenamehttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/9e256271eaddb4c93096d7d1025a6aada944059b
9e25627https://github.com/ExeQuantCode/RAFFLE/pull/32/commits/9e256271eaddb4c93096d7d1025a6aada944059b
https://github.com/nedtaylor
Add filehttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/770cefff333f2265422bffc7665cf2672bf13b8d
770ceffhttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/770cefff333f2265422bffc7665cf2672bf13b8d
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Add filehttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/3303c1771b1ca1fe90bb7f841f00a69bd0c13a02
3303c17https://github.com/ExeQuantCode/RAFFLE/pull/32/commits/3303c1771b1ca1fe90bb7f841f00a69bd0c13a02
https://github.com/nedtaylor
Add energetic calculationhttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/48c20757595617e6d5c5f372816d9f33fc7184c4
48c2075https://github.com/ExeQuantCode/RAFFLE/pull/32/commits/48c20757595617e6d5c5f372816d9f33fc7184c4
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Add insetshttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/8cdf6e959c6846b640f8ad7840dec5623c854c13
8cdf6e9https://github.com/ExeQuantCode/RAFFLE/pull/32/commits/8cdf6e959c6846b640f8ad7840dec5623c854c13
https://github.com/nedtaylor
Change plotted datahttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/1ebede1b50d7cc6911392ed09de7c0930ef46a30
1ebede1https://github.com/ExeQuantCode/RAFFLE/pull/32/commits/1ebede1b50d7cc6911392ed09de7c0930ef46a30
https://github.com/nedtaylor
Add fileshttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/e95863de895f144efc70966a91dd6bfc0cf19632
e95863dhttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/e95863de895f144efc70966a91dd6bfc0cf19632
https://github.com/nedtaylor
Change legendhttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/0af31a7f90e7dc82beec3afa194c25edfadfd1a6
0af31a7https://github.com/ExeQuantCode/RAFFLE/pull/32/commits/0af31a7f90e7dc82beec3afa194c25edfadfd1a6
https://github.com/nedtaylor
Change legendhttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/b098711868baaf889aee188e630790607f9a6aaf
b098711https://github.com/ExeQuantCode/RAFFLE/pull/32/commits/b098711868baaf889aee188e630790607f9a6aaf
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Change legendhttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/e2cdddc61a1938c460b54012b468f9f80b2296ec
e2cdddchttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/e2cdddc61a1938c460b54012b468f9f80b2296ec
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Fix fortran executable data handlinghttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/671d41a41d2a8925ef0d5a04ff7c7b522bd7fb2d
671d41ahttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/671d41a41d2a8925ef0d5a04ff7c7b522bd7fb2d
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Update example parametershttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/1b4778a840c270362d5f92c8a231561d6054dece
1b4778ahttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/1b4778a840c270362d5f92c8a231561d6054dece
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Uncomment linehttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/6d503c9c78e9986990da5d263a055b357e1bb66d
6d503c9https://github.com/ExeQuantCode/RAFFLE/pull/32/commits/6d503c9c78e9986990da5d263a055b357e1bb66d
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Fix checkerhttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/56f125d158d91d5d813313b748f82adae2370a8b
56f125dhttps://github.com/ExeQuantCode/RAFFLE/pull/32/commits/56f125d158d91d5d813313b748f82adae2370a8b
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