From a2e5545c7c0496bfbc8a13893bda59dc01d059ae Mon Sep 17 00:00:00 2001 From: Matteo Giantomassi Date: Mon, 23 Dec 2024 17:38:10 +0100 Subject: [PATCH] Fix typos --- abipy/dfpt/qha_2D.py | 2 +- abipy/flowtk/psrepos.py | 10 +++++----- abipy/flowtk/qha_2d.py | 2 +- 3 files changed, 7 insertions(+), 7 deletions(-) diff --git a/abipy/dfpt/qha_2D.py b/abipy/dfpt/qha_2D.py index 2d1658e22..9dc184578 100644 --- a/abipy/dfpt/qha_2D.py +++ b/abipy/dfpt/qha_2D.py @@ -77,7 +77,7 @@ def from_gsr_ddb_paths(cls, """ phdos_paths, phbands_paths = anaget_phdoses_with_gauss(nqsmall_or_qppa, smearing_ev, ddb_paths, anaget_kwargs, verbose) - new = cls.from_files(ddb_files, phdos_paths_2D, bo_strains_ac, phdos_strains_ac, gsr_file="GSR.nc") + new = cls.from_files(ddb_paths, phdos_paths_2D, bo_strains_ac, phdos_strains_ac, gsr_file="GSR.nc") #new.pickle_dump(workdir, basename=None) return new diff --git a/abipy/flowtk/psrepos.py b/abipy/flowtk/psrepos.py index 5953929f0..49bee0966 100644 --- a/abipy/flowtk/psrepos.py +++ b/abipy/flowtk/psrepos.py @@ -43,6 +43,11 @@ from tqdm import tqdm +# Installation directory. +REPOS_ROOT = os.environ.get("ABIPY_PSREPOS_ROOT", + default=os.path.join(os.path.expanduser("~"), ".abinit", "pseudos")) + + def get_oncvpsp_pseudos(xc_name: str, version: str, relativity_type: str = "SR", accuracy: str = "standard") -> PseudoTable: """ High-level API that returns a PseudoTable of ONCVPSP pseudos for a given xc functional and version. @@ -65,11 +70,6 @@ def get_oncvpsp_pseudos(xc_name: str, version: str, relativity_type: str = "SR", return repo.get_pseudos(accuracy) -# Installation directory. -REPOS_ROOT = os.environ.get("ABIPY_PSREPOS_ROOT", - default=os.path.join(os.path.expanduser("~"), ".abinit", "pseudos")) - - def get_repos_root() -> str: """ Return the path to the installation directory. Create directory if needed. diff --git a/abipy/flowtk/qha_2d.py b/abipy/flowtk/qha_2d.py index f1b4cee82..d45911c9a 100644 --- a/abipy/flowtk/qha_2d.py +++ b/abipy/flowtk/qha_2d.py @@ -27,7 +27,7 @@ def from_scf_input(cls, workdir: PathLike, scf_input: AbinitInput, bo_strains_ac: list[list], - phdos_strains_ac: list[list]:, + phdos_strains_ac: list[list], ngqpt, with_becs: bool, with_quad: bool,