Code compliance and FAQ #17
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loriab
reviewed
Oct 9, 2017
ComplianceLevels.md
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| - A) Verifies the JSON input | ||
| - B) Can obtain energy/gradient/Hessian quantities | ||
| - C) Can perform optization, response, frequency, and spectra computations and | ||
| record output |
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Tier 1 is a high bar. Suggest a Tier 0 that A) verifies the JSON input and B) performs and records output for energy calculations
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Also, fix "optimization" spelling.
ComplianceLevels.md
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| ## Tier 2 | ||
| - D) Records all miscellaneous quantities into the Variables field | ||
| (one-electron energy, two-electron energy, KS energy, ...) | ||
| - E) Exports Wavefunction quantities (orbitals, eigenvalues, densities, orbitals) |
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too many orbitals :-)
Make clear that this is choose-your-own-Variables at this Tier, as opposed to the normalized version at Tier 3. This step is for intra-code-community programatic access.
FAQ.md
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| @@ -0,0 +1,16 @@ | |||
| # Frequently Asked Questions | |||
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| 1. *Will the json be validated before it reaches my software?* Since we are electing to use JSON the schema will not automatically be validated; however, MolSSI will sponsor software to validate the schema in a variety language. Likely through [these implementations](http://json-schema.org/implementations.html). | |||
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"variety of languages"
Primary targets are C++ and Python.
FAQ.md
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| 1. *Will the json be validated before it reaches my software?* Since we are electing to use JSON the schema will not automatically be validated; however, MolSSI will sponsor software to validate the schema in a variety language. Likely through [these implementations](http://json-schema.org/implementations.html). | ||
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| 2. *Does the schema accept arbitrary extra fields if my software piece needs internal extensions?* Yes, we are currently discussion which fields are reserved and where the best place for arbitrary fields would be. |
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"discussing"
Maybe use black-list/white-list terminology.
FAQ.md
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| 6. *What style will be used for indexing and case?* | ||
| We will support zero-indexing and camelCase in the JavaScript notation. Discussion is underway if we will follow the full [Google JSON Style Guide](https://google.github.io/styleguide/jsoncstyleguide.xml). | ||
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| 7. *Will the schema be versioned?* |
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Description
Adds compliance levels and starts a FAQ to answer issues #1, #6, #7, #13.