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gamma point check fix #1

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gamma point check fix #1

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2cd2d47
MD implementation
dongsenfo Oct 20, 2022
bfdb1a7
MD implementation
dongsenfo Oct 20, 2022
afdc434
Update __init__.py
dongsenfo Dec 7, 2022
aa26ec7
Merge pull request #3 from dongsenfo/hd-develop
lensonp Dec 8, 2022
679ee66
fixed Config vs. config naming error
lensonp Dec 9, 2022
3af39f6
Merge pull request #4 from aionics-io/espsite-fix
dongsenfo Dec 9, 2022
8c74c36
fixed the right file this time
lensonp Dec 9, 2022
362dcf6
Merge pull request #6 from aionics-io/espsite-fix
dongsenfo Dec 9, 2022
e5db322
Delete old__init__.py
dongsenfo Dec 9, 2022
6696139
Delete old__init__.py
dongsenfo Dec 9, 2022
ff237cb
Update __init__.py
dongsenfo Dec 14, 2022
7a70fe0
Merge pull request #9 from dongsenfo/hd-develop
dongsenfo Dec 14, 2022
816c791
Merge pull request #8 from aionics-io/hd-develop
dongsenfo Dec 14, 2022
f6ed0ed
updated dtype args for numpy deprecations
lensonp Jan 6, 2023
1b6c317
Merge pull request #10 from aionics-io/numpy_update
dongsenfo Feb 1, 2023
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852 changes: 515 additions & 337 deletions __init__.py
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9 changes: 9 additions & 0 deletions ase_espresso.egg-info/PKG-INFO
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Metadata-Version: 2.1
Name: ase-espresso
Version: 0.0.1
Summary: ASE Espresso interface
Home-page:
Author:
Author-email:
License: GNU GPL
License-File: COPYING
16 changes: 16 additions & 0 deletions ase_espresso.egg-info/SOURCES.txt
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COPYING
README.md
setup.py
ase_espresso/__init__.py
ase_espresso/atomic_configs.py
ase_espresso/espsite.py
ase_espresso/multiespresso.py
ase_espresso/pwlog2trajectory.py
ase_espresso/subdirs.py
ase_espresso/utils.py
ase_espresso/vibespresso.py
ase_espresso/worldstub.py
ase_espresso.egg-info/PKG-INFO
ase_espresso.egg-info/SOURCES.txt
ase_espresso.egg-info/dependency_links.txt
ase_espresso.egg-info/top_level.txt
1 change: 1 addition & 0 deletions ase_espresso.egg-info/dependency_links.txt
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1 change: 1 addition & 0 deletions ase_espresso.egg-info/top_level.txt
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ase_espresso
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