Merge pull request #364 from agoetz/awg-update-README

Update README.md
merzlab · Apr 25, 2024 · dceff37 · dceff37
2 parents 0f81961 + ed400cc
commit dceff37
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diff --git a/README.md b/README.md
@@ -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