Add f function limitations to README.md

merzlab · Apr 25, 2024 · ed400cc · ed400cc
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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