From deec8f5a5e683fcb83b8f158fe633b1dae79f018 Mon Sep 17 00:00:00 2001 From: Alexander Hampel Date: Fri, 9 Jun 2023 11:47:36 -0400 Subject: [PATCH] fix docstrings and add example for automethod --- doc/guide/analysis.rst | 3 +++ python/triqs_dft_tools/sumk_dft_tools.py | 6 +++++- 2 files changed, 8 insertions(+), 1 deletion(-) diff --git a/doc/guide/analysis.rst b/doc/guide/analysis.rst index 99f52bc5..5713b110 100644 --- a/doc/guide/analysis.rst +++ b/doc/guide/analysis.rst @@ -85,6 +85,9 @@ For plotting the density of states, you type:: where a brief description of all of the inputs are given in :meth:`density_of_states `, which a more in depth discussion of using this routine is given here. +.. automethod:: triqs_dft_tools.sumk_dft_tools.SumkDFTTools.density_of_states + :noindex: + Input parameter breakdown: * `mu` (Optional, default is None): The `mu` input specifies the chemical potential to be used in the calculation. By default, this is automatically set to the chemical potential within the SK object. * `broadening` (Optional, default 0.01 eV). Traditionally, a small imaginary part is included for a non-interacting spectral function to avoid any numerical artifacts. The user can specify this imaginary part with the `broadening` input. The default value of `0.01 eV` if there is no `broadening` or `mesh` input. diff --git a/python/triqs_dft_tools/sumk_dft_tools.py b/python/triqs_dft_tools/sumk_dft_tools.py index 44fcd6f8..add7def1 100644 --- a/python/triqs_dft_tools/sumk_dft_tools.py +++ b/python/triqs_dft_tools/sumk_dft_tools.py @@ -85,6 +85,7 @@ class SumkDFTTools(SumkDFT): density matrices generated by occupations(). save_to_file : boolean, optional If True, text files with the calculated data will be created. + Returns ------- DOS : Dict of numpy arrays @@ -280,7 +281,8 @@ class SumkDFTTools(SumkDFT): 'wann' - Wannier DOS calculated from the Wannier projectors 'vasp' - Vasp orbital-projected DOS only from Vasp inputs 'wien2k' - Wien2k orbital-projected DOS from the wien2k theta projectors - 'elk' - Elk orbital-projected DOS only from Elk inputs + 'elk' - Elk orbital-projected DOS only from Elk inputs + Returns ------- G_proj : Gf @@ -621,6 +623,7 @@ class SumkDFTTools(SumkDFT): 'wien2k' - Wien2k orbital-projected A(k,w) from the wien2k theta projectors save_to_file : boolean, optional If True, text files with the calculated data will be created. + Returns ------- Akw : Dict of numpy arrays @@ -759,6 +762,7 @@ class SumkDFTTools(SumkDFT): Output the orbital-projected A(k,w) type from the following: 'wann' - Wannier A(k,w) calculated from the Wannier projectors 'wien2k' - Wien2k orbital-projected A(k,w) from the wien2k theta projectors + Returns ------- Akw : Dict of numpy arrays