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Merge pull request #364 from agoetz/awg-update-README
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Update README.md
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merzlab committed Apr 25, 2024
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Expand Up @@ -30,6 +30,8 @@ Features
Limitations
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* Supports energy/gradient calculations with basis functions up to f
* GPU f function code is not highly optimized, requires large amount of RAM (may fail on consumer GPUs)
* No open shell gradients with f functions on GPUs
* Supports only Cartesian basis functions (no spherical harmonics)
* Effective core potentials (ECPs) are not supported
* DFT calculations are performed exclusively using the SG1 grid system
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