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Update semantikon to 1.2.0 PR opened #81: Pull request #84 opened by jan-janssen
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Update ASE to 3.29.0 PR opened #80: Pull request #83 opened by jan-janssen
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Update input_data.yml PR opened #79: Pull request #82 opened by samwaseda
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Fix hatchling based release PR opened #78: Pull request #81 opened by jan-janssen
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Update semantikon version to 1.1.0 PR opened #77: Pull request #79 opened by jan-janssen
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Add electric field calculation library PR opened #76: Pull request #78 opened by samwaseda
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Add transPath to input PR opened #75: Pull request #77 opened by samwaseda
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Show boolean explicitly PR opened #74: Pull request #76 opened by samwaseda
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Move location of func_in_func and convert numpy to python native object PR opened #73: Pull request #75 opened by samwaseda
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Include mypy to the tests PR opened #72: Pull request #74 opened by samwaseda
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[nit] Add units to zField PR opened #71: Pull request #73 opened by samwaseda
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Use r to avoid syntax confusion in vim PR opened #70: Pull request #72 opened by samwaseda
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Correct project name and fix text errors in README PR opened #69: Pull request #71 opened by samwaseda
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Fix SyntaxWarning for invalid escape sequences in regex strings PR opened #68: Pull request #70 opened by pmrv
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Add injectable potentials to allow per-element PAW path and potType override PR opened #67: Pull request #69 opened by pmrv
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Update semantikon version to 1.0.0 PR opened #66: Pull request #68 opened by samwaseda
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Update ASE to 3.28.0 PR opened #65: Pull request #67 opened by jan-janssen
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Update h5py to 3.16.0 PR opened #64: Pull request #66 opened by jan-janssen
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Set lower bound for pyyaml =5.4.1 PR opened #63: Pull request #65 opened by jan-janssen
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Update semantikon to 0.0.27 PR opened #62: Pull request #64 opened by jan-janssen
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Update numpy to 2.4.3 and pint to 0.25.3 PR opened #61: Pull request #63 opened by jan-janssen
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Update ASE to 3.27.0 PR opened #60: Pull request #62 opened by jan-janssen
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WIP: Simple ase interface PR opened #59: Pull request #60 opened by pmrv
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Test with numpy 2.3.5 and pyyaml 6.0.3 PR opened #58: Pull request #59 opened by jan-janssen
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Update pint to 0.25.2 and semantikon to 0.0.26 PR opened #57: Pull request #58 opened by jan-janssen
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