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Update docs.

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commit 1f3b2b452a2e149fb11898b9137a63921b056ca8 1 parent d1a2cfe
@shyuep shyuep authored
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2  custodian/__init__.py
@@ -1,3 +1,3 @@
__author__ = "Shyue Ping Ong"
__date__ = "Jan 27 2013"
-__version__ = "0.3.1"
+__version__ = "0.3.2"
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7 docs/index.rst
@@ -18,6 +18,13 @@ error, and potentially restart the job if necessary.
Change log
==========
+0.3.2
+-----
+1. Important bug fix for VaspJob and converge_kpoints script.
+
+0.3.0
+-----
+
1. Major update to custodian API. Custodian now perform more comprehensive
logging in a file called custodian.json, which logs all jobs and
corrections performed.
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2  scripts/converge_kpoints
@@ -100,7 +100,7 @@ if __name__ == "__main__":
parser.add_argument(
"-t", "--target", dest="target", nargs="?",
- default=1, type=float,
+ default=0.001, type=float,
help="The target converge in energy per atom to achieve "
"convergence. E.g., 1e-3 means the KPOINTS will be increased "
"until a converged of 1meV is reached."
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2  setup.py
@@ -12,7 +12,7 @@
setup(
name="custodian",
packages=find_packages(),
- version="0.3.1",
+ version="0.3.2",
install_requires=[],
extras_require={"vasp": ["pymatgen>=2.6.2"]},
package_data={},
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