From 9ab9947f9a2687a7f3b449d043e680619c72881d Mon Sep 17 00:00:00 2001 From: Steve Schmerler Date: Tue, 30 Jul 2024 22:08:47 +0200 Subject: [PATCH] DOC: update order of background topics, add qha --- doc/source/written/background/index.rst | 7 ++++--- doc/source/written/{ => background}/qha.md | 2 +- 2 files changed, 5 insertions(+), 4 deletions(-) rename doc/source/written/{ => background}/qha.md (99%) diff --git a/doc/source/written/background/index.rst b/doc/source/written/background/index.rst index 423c96fd..ccc6a32a 100644 --- a/doc/source/written/background/index.rst +++ b/doc/source/written/background/index.rst @@ -6,10 +6,11 @@ Background, details, special topics .. toctree:: - ase - coord_trans - param_study parsing phonon_dos + qha + param_study pwscf + ase rbf + coord_trans diff --git a/doc/source/written/qha.md b/doc/source/written/background/qha.md similarity index 99% rename from doc/source/written/qha.md rename to doc/source/written/background/qha.md index bf49f3bf..11e710ca 100644 --- a/doc/source/written/qha.md +++ b/doc/source/written/background/qha.md @@ -2,7 +2,7 @@ # Quasi-harmonic approximation See {class}`~pwtools.thermo.HarmonicThermo` + -`test/test_qha.py`, {class}`~pwtools.thermo.Gibbs` + `tesst/test_gibbs.py`. +`test/test_qha.py`, {class}`~pwtools.thermo.Gibbs` + `test/test_gibbs.py`. The distinctive feature of the pwtools implementation is that in {class}`~pwtools.thermo.Gibbs`, we treat unit cell axes instead of just the