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Update to Milo 1.0.2
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mteynor committed Aug 23, 2021
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12 changes: 6 additions & 6 deletions README.md
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### Please cite Milo as:
Milo, Revision 1.0.1, M. S. Teynor, N. Wohlgemuth, L. Carlson, J. Huang, S. L. Pugh, B. O. Grant, R. S. Hamilton, R. Carlsen, and D. H. Ess, Brigham Young University, Provo UT, 2021.
Milo, Revision 1.0.2, M. S. Teynor, N. Wohlgemuth, L. Carlson, J. Huang, S. L. Pugh, B. O. Grant, R. S. Hamilton, R. Carlsen, and D. H. Ess, Brigham Young University, Provo UT, 2021.

### Requirements
#### Python:
Expand All @@ -12,11 +12,11 @@ Milo can interface with both Gaussian 16 and Gaussian 09 to perform force calcul
Milo is only intended to work on a Linux based operating system through the command line.

### Installation Guide
1. Unzip milo-1.0.1.zip in your home directory
1. Unzip milo-1.0.2.zip in your home directory
2. Add the following to your .bashrc:
`export PYTHONPATH=$PYTHONPATH:$HOME/milo-1.0.0`
`export PYTHONPATH=$PYTHONPATH:$HOME/milo-1.0.2`
3. (Optional) Also add the following to your .bashrc, to make calling scripts easier:
`export PATH=$PATH:$HOME/milo-1.0.0/milo/tools`
`export PATH=$PATH:$HOME/milo-1.0.2/milo_1_0_2/tools`
`module load python/3.8`
4. Source your .bashrc or restart your session.

Expand All @@ -26,9 +26,9 @@ You are now ready to run your first Milo job.
To run a Milo job with Gaussian 16:
`module load python/3.8`
`module load g16`
`python -m milo < job.in > job.out`
`python -m milo_1_0_2 < job.in > job.out`

To run a Milo job with Gaussian 09:
`module load python/3.8`
`module load g09`
`python -m milo < job.in > job.out`
`python -m milo_1_0_2 < job.in > job.out`
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2 changes: 1 addition & 1 deletion milo_1_0_1/__init__.py → milo_1_0_2/__init__.py
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"""Declare Milo as a package."""
"""Declare Milo as a package."""
14 changes: 7 additions & 7 deletions milo_1_0_1/__main__.py → milo_1_0_2/__main__.py
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#!/usr/bin/env python3
# -*- coding: utf-8 -*-
"""Run Milo."""

from milo_1_0_1 import main

main.main()
#!/usr/bin/env python3
# -*- coding: utf-8 -*-
"""Run Milo."""

from milo_1_0_2 import main

main.main()
888 changes: 444 additions & 444 deletions milo_1_0_1/atom.py → milo_1_0_2/atom.py

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