Update README and docs

Ionizing · Nov 18, 2024 · 81a249d · 81a249d
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diff --git a/README.md b/README.md
@@ -22,6 +22,7 @@ Now `rsgrad` provides several features:
 12. Calculate Transition Dipole Moment;
 13. Calculate band gap and print locations of CBM and VBM.
 14. Convert one quantity to other units that representing same energy.
+15. Calculate model non-adiabatic coupling (NAC) for NAMD-LMI (a subset of Hefei-NAMD).
 
 Wish you have a good time with `rsgrad` ^\_^
 

diff --git a/docs/src/Introduction.md b/docs/src/Introduction.md
@@ -20,5 +20,6 @@ Now `rsgrad` provides several features:
 12. Calculate Transition Dipole Moment from _WAVECAR_;
 13. Calculate band gap and print locations of CBM and VBM.
 14. Convert one quantity to other units that representing same energy.
+15. Calculate the model non-adiabatic coupling for NAMD-LMI (a subset of Hefei-NAMD)
 
 Wish you have a good time with `rsgrad` ^\_^