From 81a249d20a5e6b7a3aafa17c958604f7e51b291c Mon Sep 17 00:00:00 2001 From: Ionizing Date: Mon, 18 Nov 2024 15:03:43 +0800 Subject: [PATCH] Update README and docs --- README.md | 1 + docs/src/Introduction.md | 1 + 2 files changed, 2 insertions(+) diff --git a/README.md b/README.md index 6111b40..d3cbd9d 100644 --- 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 index 29149b2..20149ef 100644 --- 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` ^\_^