Skip to content

Commit

Permalink
Merge branch 'master' into surface
Browse files Browse the repository at this point in the history
  • Loading branch information
knc6 authored Apr 25, 2024
2 parents 105160b + 4ec2bf5 commit 24e294b
Show file tree
Hide file tree
Showing 4 changed files with 6 additions and 5 deletions.
2 changes: 1 addition & 1 deletion jarvis/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -10,4 +10,4 @@ def test(*args):
import pytest

path = os.path.join(os.path.split(__file__)[0], "tests")
pytest.main(args=[path] + list(args))
pytest.main(args=[path] + list(args))
2 changes: 1 addition & 1 deletion jarvis/core/atoms.py
Original file line number Diff line number Diff line change
Expand Up @@ -2396,4 +2396,4 @@ def build_xanes_poscar(
# info['cartesian']=atoms['cartesian']
# elements=[i.strip() for i in atoms['elements']]
# info['elements']=elements
# return info
# return info
4 changes: 2 additions & 2 deletions jarvis/tests/testfiles/core/test_atoms.py
Original file line number Diff line number Diff line change
Expand Up @@ -266,5 +266,5 @@ def test_remove_sites_by_indices():
)
assert Si2_supercell_without_two_atoms.num_atoms == 14

test_basic_atoms()
# test_remove_sites_by_indices()
# test_basic_atoms()
# test_remove_sites_by_indices()
3 changes: 2 additions & 1 deletion setup.py
Original file line number Diff line number Diff line change
Expand Up @@ -34,6 +34,7 @@
"magpie.json",
"element_charge.json",
"atom_init.json",
"mineral_name_prototype.json.zip",
],
"jarvis.tasks.lammps.templates": [
"displace.mod",
Expand Down Expand Up @@ -83,4 +84,4 @@
"Topic :: Scientific/Engineering",
],
# scripts=glob.glob(os.path.join(JARVIS_DIR, "*"))
)
)

0 comments on commit 24e294b

Please sign in to comment.