Title: Dublicate keys are handled as list · Issue #6 · dftbplus/hsd-python · GitHub
Open Graph Title: Dublicate keys are handled as list · Issue #6 · dftbplus/hsd-python
X Title: Dublicate keys are handled as list · Issue #6 · dftbplus/hsd-python
Description: This is invalid HSD in DFTB+ when read as 3r: OBCCorrection = 1.0 OBCCorrection = 0.8 OBCCorrection = 4.85 Translating it to a python dict by >>> import hsd >>> dictbuilder = hsd.HsdDictBuilder() >>> parser = hsd.HsdParser(eventhandler=d...
Open Graph Description: This is invalid HSD in DFTB+ when read as 3r: OBCCorrection = 1.0 OBCCorrection = 0.8 OBCCorrection = 4.85 Translating it to a python dict by >>> import hsd >>> dictbuilder = hsd.HsdDictBuilder() >...
X Description: This is invalid HSD in DFTB+ when read as 3r: OBCCorrection = 1.0 OBCCorrection = 0.8 OBCCorrection = 4.85 Translating it to a python dict by >>> import hsd >>> dictbuilder = hsd....
Opengraph URL: https://github.com/dftbplus/hsd-python/issues/6
X: @github
Domain: github.com
{"@context":"https://schema.org","@type":"DiscussionForumPosting","headline":"Dublicate keys are handled as list","articleBody":"This is invalid HSD in DFTB+ when read as 3r:\r\n\r\n```cson\r\nOBCCorrection = 1.0\r\nOBCCorrection = 0.8\r\nOBCCorrection = 4.85\r\n```\r\n\r\nTranslating it to a python dict by\r\n```python\r\n\u003e\u003e\u003e import hsd\r\n\u003e\u003e\u003e dictbuilder = hsd.HsdDictBuilder()\r\n\u003e\u003e\u003e parser = hsd.HsdParser(eventhandler=dictbuilder)\r\n\u003e\u003e\u003e with open(\"obc3.hsd\", \"r\") as fobj:\r\n... parser.feed(fobj)\r\n\u003e\u003e\u003e dictbuilder.hsddict\r\n{'obccorrection' = [1.0, 0.8, 4.85]}\r\n```\r\n\r\nYields a list instead of an error, the given dict backtranslates to HSD as \r\n\r\n```python\r\n\u003e\u003e\u003e print(hsd.dumps(dictbuilder.hsddict))\r\nobccorrection = 1.0 0.8 4.85\r\n```\r\n\r\nAlso note that the capitalization is not preserved as in DFTB+.","author":{"url":"https://github.com/awvwgk","@type":"Person","name":"awvwgk"},"datePublished":"2020-04-06T22:34:08.000Z","interactionStatistic":{"@type":"InteractionCounter","interactionType":"https://schema.org/CommentAction","userInteractionCount":0},"url":"https://github.com/6/hsd-python/issues/6"}
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| og:image:alt | This is invalid HSD in DFTB+ when read as 3r: OBCCorrection = 1.0 OBCCorrection = 0.8 OBCCorrection = 4.85 Translating it to a python dict by >>> import hsd >>> dictbuilder = hsd.HsdDictBuilder() >... |
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