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Fix typos
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gmatteo committed Dec 23, 2024
1 parent 7e6a2bb commit a2e5545
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Showing 3 changed files with 7 additions and 7 deletions.
2 changes: 1 addition & 1 deletion abipy/dfpt/qha_2D.py
Original file line number Diff line number Diff line change
Expand Up @@ -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

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10 changes: 5 additions & 5 deletions abipy/flowtk/psrepos.py
Original file line number Diff line number Diff line change
Expand Up @@ -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.
Expand All @@ -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.
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2 changes: 1 addition & 1 deletion abipy/flowtk/qha_2d.py
Original file line number Diff line number Diff line change
Expand Up @@ -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,
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