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Merged
merged 187 commits into from
Feb 5, 2020
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f9fa368
+1 in counter added after testing on BW
Jun 29, 2018
6b32142
Merge branch 'master' of https://github.com/arfc/saltproc
andrewryh Oct 24, 2018
b9a1c25
Simulation class has been added in separate file
andrewryh Oct 24, 2018
0c1d7b4
Material flow class moved in separated file
andrewryh Oct 24, 2018
9f95b5f
Depletion code mother class for SERPENT and then probably other codes…
andrewryh Oct 24, 2018
fbf32a8
Reactor class added
andrewryh Oct 24, 2018
39b27bb
class Process partially ready
andrewryh Oct 24, 2018
ef7c7ff
class Process() finished
andrewryh Oct 25, 2018
7752164
Serpent running function added
andrewryh Nov 1, 2018
9b79d1e
Simulation parameters (neutron pop, etc) checking and changing functi…
andrewryh Nov 2, 2018
9e51f53
Add function to check existence of Serpent file with materials (from …
andrewryh Nov 2, 2018
6fb7ff5
Abs or relative path can be used in <include "mat_file"> statement
andrewryh Nov 2, 2018
0070074
Print message when depletion code running
andrewryh Nov 14, 2018
d55ee36
Depletion function finished
andrewryh Jan 11, 2019
6fdd526
Simulation class --> runsimulation method added
andrewryh Jan 11, 2019
5d52b66
Update simulation.py
katyhuff Jan 11, 2019
f7c851e
Merge pull request #1 from katyhuff/patch-1
andrewryh Jan 11, 2019
94688f2
Passing depcode into Simulation added
andrewryh Jan 11, 2019
4f73d3d
Read bumat started
andrewryh Jan 11, 2019
e57f659
Read bumat file works well. Two formats of nuc_code unresolved yet
andrewryh Jan 14, 2019
7be6e53
Function for converting nuclide code in Serpent format to human reada…
andrewryh Jan 15, 2019
1b8ba3b
Order in dictionary with depletion information from bumat preserved now
andrewryh Jan 15, 2019
85e86ba
Structure materials description transfered to main input file
andrewryh Jan 15, 2019
ddd57e8
Write material file from dictionary function finished
andrewryh Jan 15, 2019
1fa1b3b
Initialization of HDF5 and dump dict to HDF5
andrewryh Jan 15, 2019
65bf38c
Storing in HDF5 added
andrewryh Jan 16, 2019
ef3a333
Keff storing in HDF5 added
andrewryh Jan 18, 2019
39a9a66
Storing exe_time, fission mass, BR, etc in HDF5 added
andrewryh Jan 18, 2019
bc8b775
Store mass density in HDF5 instead of number density (x vol to get mass)
andrewryh Jan 18, 2019
9f34806
Burnup and fission_mass stored in HDF5
andrewryh Jan 22, 2019
beb8bdd
Materials for PyNE used to define fuel salt, debugging
andrewryh Jan 23, 2019
c185988
PyNE materials used to convert adens to mass
andrewryh Jan 23, 2019
7617481
Read dep file function about finished
andrewryh Feb 15, 2019
f51068d
Materialflow class as a child class of PyNE.Material added
andrewryh May 14, 2019
f3485f3
Switch from pyne.nucname.mcnp_to_id to pyne.nucname.zzzaaa_to_id. MCN…
andrewryh May 16, 2019
f4e9231
writing_mat_file function debugged: produced saltproc_mat file runs g…
andrewryh May 17, 2019
5c8bbf8
HDF5 storage with tables finished
andrewryh May 21, 2019
494d61e
Checking HDF5 groups and arrays existance before storing
andrewryh May 22, 2019
1181fa5
Table with parameters for materials
andrewryh May 22, 2019
75f6f87
Storing material parameters (density, temperature, etc) for moment be…
andrewryh May 23, 2019
6806c61
Loop for testing index in iso_map removed
andrewryh May 23, 2019
fcb38b3
Functions for storing data using pandas, plain HDF5, dump dictionarie…
andrewryh May 23, 2019
4e0d5ab
Mass unit convertion added. But don't need it. Better keep everything…
andrewryh May 23, 2019
14f175a
Compression now on for the whole h5 file, not for EArray only. Global…
andrewryh May 23, 2019
b0d9dca
Comprssion setup for HDF5 is user-defined now. Passes data to Simulat…
andrewryh May 23, 2019
8179be2
Storing all initial data (neutron population, cycles) and initital f…
andrewryh May 23, 2019
7e09faf
Storing simulation data after each timestep: keff(0,1), exe_time, mem…
andrewryh May 23, 2019
708a9da
Mass unit selection depreciated, everything in gramms now. User can s…
andrewryh May 24, 2019
d5a1e54
Multistep mode doesn't work due to variable number of isotopes in the…
andrewryh May 28, 2019
a92f626
Preprocessing function mat_comp_preprosessor() added to generate serp…
andrewryh May 28, 2019
da5d9b2
Issues with variable number of isotopes resolved by applying preproce…
andrewryh May 28, 2019
cdef451
First test added for depcode.get_tra_or_dec()
andrewryh May 29, 2019
3c365de
Fixed issue with importing Materialflow class
andrewryh May 29, 2019
95150fd
5 tests for Depcode added
andrewryh May 29, 2019
692c8ca
7 test for Depcode added, 80% covered
andrewryh May 29, 2019
e5549c8
Integration test without reprocessing added.
andrewryh May 29, 2019
4175700
Process class added with input parameter initialization and simple el…
andrewryh May 30, 2019
e3f7049
Process objects reading from json file added
andrewryh May 31, 2019
3e6da11
Added __deepcopy__method to keep object class Materialflow with all d…
andrewryh Jun 3, 2019
3541b54
Integration tests shortened (80sec) and deepcopy issue for Materialfl…
andrewryh Jun 4, 2019
38aa368
Fixed reproc test
andrewryh Jun 4, 2019
cb21a3c
Materialflow class copying finished. Can copy whole object, or separa…
andrewryh Jun 4, 2019
b7d5ca7
Operator overloading for Materialflows added. Hard-coded removal sche…
andrewryh Jun 4, 2019
b784c85
Feed added. For merging flows assumed they have the same deinsity oth…
andrewryh Jun 4, 2019
4a94fae
Suppress printing SERPENT output
andrewryh Jun 5, 2019
f2944ca
Storing now simulation param (keff, sim time, betas) for initial fuel…
andrewryh Jun 5, 2019
f4e7992
Added restart flag. If False: remove h5, input and iter_mat file to a…
andrewryh Jun 5, 2019
6658884
Store material composition after reprocessing. For initial (0) step s…
andrewryh Jun 5, 2019
32c6213
No need store simulation data for 0 step, we have keff_bds and keff_e…
andrewryh Jun 5, 2019
e7769ca
Reprocessing and refilling for multiple materials added
andrewryh Jun 5, 2019
f01a8b3
Copy waste stream from inflow to keep size same (otherwise size chang…
andrewryh Jun 5, 2019
b6d32d5
Added function which store in h5 materials after reprocessing and was…
andrewryh Jun 5, 2019
081d3ce
element_removal function completely rewritten to avoid memory leak. N…
andrewryh Jun 6, 2019
31402f9
Fix issue with refeed. Now Material overwritten and "waste" dictionar…
andrewryh Jun 7, 2019
aee2d06
Reprocessing scheme changed close to ORNL. json fixed
andrewryh Jun 7, 2019
87e4572
Added ugly stick to run on BW
andrewryh Jun 7, 2019
571c1b1
Depcode update after Falcon
Jun 10, 2019
6ac03b4
Fixed tabs
andrewryh Jun 10, 2019
2a91d1f
file --> fname
andrewryh Jun 10, 2019
1328111
Running on BW fixed
Jun 11, 2019
a711046
Subprocess function optimized to common version
andrewryh Jun 11, 2019
fddd098
Test fixed after adding node number. Keff and mass plotters added in …
andrewryh Jun 13, 2019
dd48846
LEU 19.79% enrichment feed added
andrewryh Jun 13, 2019
de350f6
Neutron population changed
andrewryh Jun 13, 2019
5a163e9
Plotters for keff and nuclide mass added
andrewryh Jun 20, 2019
04473e8
Plot isotopes mass
andrewryh Jun 24, 2019
75cad27
Core number changed. Tests passed
andrewryh Oct 14, 2019
f7dbab2
Prepare setup for time step refinement study (10 days)
andrewryh Oct 14, 2019
8df653c
Update README
andrewryh Oct 14, 2019
395c59f
Setup script mentrioned
andrewryh Oct 14, 2019
106ec52
Input changed for refinement study: 30-d step, 186 steps,5580days
andrewryh Oct 16, 2019
6b95284
Time refinement: 5d step, 978 steps, 4890days, 10years
andrewryh Oct 17, 2019
78437bb
Setuped for Falcon
Oct 17, 2019
8b087d5
Falcon run for 1.5d-step, 1900 steps, 4735days, 70 hours
andrewryh Oct 22, 2019
08d1a93
Fixing issue #34
andrewryh Oct 23, 2019
d78c0f8
Keff parser for many various HDF5 files
andrewryh Oct 23, 2019
4f4996c
Added 6 geometry inputs: 342(base) rods, 406, 427, 521, 597, 688 mode…
andrewryh Oct 23, 2019
86be012
Variable SVF added
andrewryh Oct 29, 2019
96afe0f
Case for meeting 11/7. Geometry correction on 4th, 6th and 7th step n…
andrewryh Nov 6, 2019
4c08635
11 geometries case added
andrewryh Nov 8, 2019
1b07728
New geometries added to obtain longer lifetime
andrewryh Nov 25, 2019
7fe44a5
More geometry tweaking
andrewryh Dec 3, 2019
d69ca15
Fixed integration test after implementing variable geo
andrewryh Dec 3, 2019
7ef9660
Functions in Class Depcode cpvered with unit test on 100%
andrewryh Dec 3, 2019
2f73b67
Comment added to driver
andrewryh Dec 9, 2019
90d03d6
Merge pull request #2 from andrewryh/testing1
andrewryh Dec 9, 2019
2949496
Integration testing started
andrewryh Dec 17, 2019
5f43c60
Constant reprocessing simplified test added
andrewryh Dec 18, 2019
be1ddd3
Added saltproc temprorary files in gitignore
andrewryh Dec 18, 2019
de97fbc
Changed structure of the package. Now it is running by callinng app.r…
andrewryh Dec 19, 2019
4747f27
Preparation for changing reprocessing scheme module
andrewryh Dec 20, 2019
6eafffd
To constant reprocessing efficiency test added checking waste and fee…
andrewryh Dec 23, 2019
bc71394
Tests added and works. Forked materials summing together for arbitrar…
andrewryh Dec 26, 2019
1c3b872
Do not show PyNE QA Warnings
andrewryh Dec 26, 2019
e3e4f0b
Reprocessing function finally changed to work with DOT file
andrewryh Dec 26, 2019
a57c5cb
two integration tests fiinally works. Input files: .serpent, .dot, _o…
andrewryh Dec 27, 2019
a335de0
Changed gases removal efficiency to values from Peeble
andrewryh Dec 27, 2019
6aeb1ed
DB file for test added
andrewryh Dec 27, 2019
527e1e7
Fixed bug in depcode: now can work with any number of beta groups
andrewryh Jan 6, 2020
61058bd
Fixed bug related with different number of beta groups for various li…
andrewryh Jan 6, 2020
2a1272d
Ready for simulation with ENDF7 instead of JEFF
andrewryh Jan 6, 2020
8b53e6d
Added preprocessor for generating initial burnable materials composit…
andrewryh Jan 7, 2020
61b305d
Implemente input file instead of hard-coded parameters in the code. A…
andrewryh Jan 14, 2020
574a6a0
Preparing for variable depstep and power level input
andrewryh Jan 15, 2020
4481b73
Variable depleton timestep and power level feature added
andrewryh Jan 16, 2020
d221ca8
Added preprocessor making variable cumulative depletion time and powe…
andrewryh Jan 16, 2020
734c956
Citation file added
andrewryh Jan 21, 2020
c715781
Sphinx documentation added
andrewryh Jan 22, 2020
9929ed5
README update with instuction how to generate docs
andrewryh Jan 22, 2020
0cc7935
README updated
andrewryh Jan 22, 2020
f511f2d
Added test which compares density, temperature, total mass, etc of fu…
andrewryh Jan 23, 2020
4037aac
Moved `docs` to `doc`
andrewryh Jan 23, 2020
45da897
Added json in requirements
andrewryh Jan 23, 2020
56e215c
Made functions description pretty for the doc
andrewryh Jan 23, 2020
d0988e9
Functions descriptions improved in `Reactor` class
andrewryh Jan 23, 2020
93d8ac0
Clean out extra code from `Process`
andrewryh Jan 23, 2020
4306257
Cleaned descriptions in Process for `doc`
andrewryh Jan 23, 2020
3369efd
Fixed no reprocessing test
andrewryh Jan 23, 2020
e752c88
`Simulation` got good portion of comment to nicer documantation.
andrewryh Jan 23, 2020
876773b
Cleaned up code
andrewryh Jan 23, 2020
e8c4f7f
Removed `read_bumat` function because it is not used anymore. And it …
andrewryh Jan 23, 2020
772d11c
`Depcode` class cleaned for pretty documentation
andrewryh Jan 24, 2020
ac0d12e
README shortened and updated
andrewryh Jan 24, 2020
ace9c43
Updated
andrewryh Jan 24, 2020
bd7cab6
Finished cleaning comments for documentation
andrewryh Jan 24, 2020
3211e96
Travis CI *.yml file changed
andrewryh Jan 24, 2020
afa57e3
Travis only for python 3.5
andrewryh Jan 24, 2020
8b67ec1
`fi` removed
andrewryh Jan 24, 2020
2cb4661
Conda environment creation added
andrewryh Jan 24, 2020
ceed3d2
Bash initialization added
andrewryh Jan 24, 2020
37c65fb
Shell initition
andrewryh Jan 24, 2020
56802ce
Remove absolete packages from travis
andrewryh Jan 24, 2020
3dead87
3 new unit tests added in process and depcode
andrewryh Jan 24, 2020
4a438d3
Fixed test for iter_mat function. Travis should work now #26
andrewryh Jan 25, 2020
fddf8a3
Depcode fully (almost) covered by unit tests (except run_serpent)
andrewryh Jan 26, 2020
d727ea1
Travis image fixed
andrewryh Jan 26, 2020
dfd1786
Relative path in Depcode test
andrewryh Jan 27, 2020
5665aab
2 unit tests added to Simulation
andrewryh Jan 27, 2020
0d5cdb4
Force Travis do not run test which requires Serpent installed
andrewryh Jan 27, 2020
bf47727
Now Travis should skip integration tests
andrewryh Jan 27, 2020
92344e7
Materialflow and Simulation coverend with unit tests.
andrewryh Jan 27, 2020
1ced3fe
Database with 7-step run added for unit tests
andrewryh Jan 27, 2020
5c0afa2
Unit tests for App added
andrewryh Jan 28, 2020
0159299
NetworkX and PyDotPlus added to Travis config
andrewryh Jan 28, 2020
8c9e79b
Conda instead of PIP in Travis CI
andrewryh Jan 28, 2020
b225f61
Travis fix
andrewryh Jan 28, 2020
b5280a7
Added develop and master branches to Travis
andrewryh Jan 28, 2020
8f435ac
driver not needed anymore, because the code using input file now
andrewryh Jan 28, 2020
e17ff83
PEP8 complains fixed
andrewryh Jan 28, 2020
ecec24c
Over-indented PIP8 error fixed
andrewryh Jan 28, 2020
e6a95de
Addresses Sun Myung comment about Serpent must be 2.1.31 or newer.
andrewryh Jan 28, 2020
4784239
Address Ansh comments. And Gwen comment #2
andrewryh Jan 29, 2020
e3ca0d7
Two words `file`
andrewryh Jan 29, 2020
ca506b8
Addresses Gwen comment on power curver generation script
andrewryh Jan 29, 2020
447cb00
Merge branch 'develop' of https://github.com/andrewryh/saltproc into …
andrewryh Jan 29, 2020
703254b
Typos in DOT files fixed. More description in comments section
andrewryh Jan 29, 2020
3d82f0d
Duplicated DOT file removed. Fixed comments section
andrewryh Jan 29, 2020
2f942c1
Fixes issue with non-existed `data` directory
andrewryh Jan 29, 2020
69f60b2
Test clean Serpent output files after itself
andrewryh Jan 29, 2020
4ff8576
Extra information added to TAP geometry files
andrewryh Jan 29, 2020
b4ace94
README updated. CONTRIBUTING added. Documentation updated
andrewryh Jan 29, 2020
72603f5
Intallation page updated
andrewryh Jan 29, 2020
34c4689
Better look for printet paths
andrewryh Jan 30, 2020
6414571
User-defined momement in time when to switch to next geometry
andrewryh Jan 30, 2020
78b3b95
Fixed wrong phrase in README
andrewryh Jan 31, 2020
80a31c8
Back to switching geometry based on predicted keff value
andrewryh Feb 3, 2020
c1758d5
Cleaned extra files in example
andrewryh Feb 5, 2020
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1 change: 1 addition & 0 deletions .cache/v/cache/lastfailed
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@@ -0,0 +1 @@
{}
4 changes: 4 additions & 0 deletions .gitignore
Original file line number Diff line number Diff line change
@@ -1,6 +1,10 @@
*.pyc
*~
*.DS_Store
*.h5
_build/
auto_examples/
gen_api/
saltproc.egg-info/
.ipynb_checkpoints/
saltproc/data/saltproc_*
3 changes: 0 additions & 3 deletions .mailmap

This file was deleted.

25 changes: 14 additions & 11 deletions .travis.yml
Original file line number Diff line number Diff line change
@@ -1,8 +1,11 @@
language: python
python:
- 2.7
- 3.6

- 3.5
branches:
only:
- develop
- master

# Setup anaconda
install:
- sudo apt-get install libhdf5-serial-dev
Expand All @@ -14,22 +17,22 @@ install:
- sudo apt-get install liblapack-dev
- sudo apt-get install git
- sudo apt-get update
- if [[ "$TRAVIS_PYTHON_VERSION" == "2.7" ]]; then
wget https://repo.continuum.io/miniconda/Miniconda2-latest-Linux-x86_64.sh -O miniconda.sh;
else
wget https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh -O miniconda.sh;
fi
- wget https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh -O miniconda.sh;
- bash miniconda.sh -b -p $HOME/miniconda
- export PATH="$HOME/miniconda/bin:$PATH"
- hash -r
- conda config --set always_yes yes --set changeps1 no
- conda update -q conda
# Useful for debugging any issues with conda
- conda create -n pyne-env python=3.5
- conda init bash
- eval "$(conda shell.bash hook)"
- conda activate pyne-env
- conda info -a
- conda install -c anaconda h5py
- conda install -c conda-forge pyne
- conda install -c anaconda pytest
- conda install -c conda-forge networkx
- conda install -c conda-forge pydotplus

# run
script:
- pytest ./saltproc/tests/saltproc_test.py
- pytest --ignore saltproc/tests/integration_tests saltproc -vv
63 changes: 63 additions & 0 deletions CITATION.md
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@@ -0,0 +1,63 @@
## Citations

The information below should help you to properly cite SaltProc where
appropriate. Up-to-date citations will be added as they are produced.

### Software Citation

If you use the SaltProc software, we ask that you cite the version of SaltProc
that you used:


#### Version 0.2
```tex

@article{rykhlevskii_saltproc_2018,
author = "Andrei Rykhlevskii, Jin Whan Bae, Kathryn Huff",
title = "{arfc/saltproc: Code for online reprocessing simulation of molten salt
reactor with external depletion solver SERPENT}",
year = "2018",
month = "7",
publisher = "zenodo",
url = "http://dx.doi.org/10.5281/zenodo.1306628 "
}
```

If you use any of our published results or methods, please also cite the
relevant paper(s) below.


### Method and Results Citations

The Molten Salt Breeder Reactor (MSBR) results should be cited :

```tex
@article{rykhlevskii_modeling_2019,
title = {Modeling and simulation of online reprocessing in the thorium-fueled molten salt breeder reactor},
volume = {128},
issn = {0306-4549},
url = {"http://dx.doi.org/10.1016/j.anucene.2019.01.030"},
journal = {Annals of Nuclear Energy},
author = {Rykhlevskii, Andrei and Bae, Jin Whan and Huff, Kathryn D.},
month = jun,
year = {2019},
pages = {366--379}
}
```

Transatomic Power MSR results should be cited :

```tex
@techreport{rykhlevskii_milestone_2019,
address = {Urbana, IL},
type = {Milestone {Report}},
title = {Milestone 2.1 {Report}: {Demonstration} of {SaltProc}},
url = {"http://dx.doi.org/10.5281/zenodo.3355649"},
institution = {University of Illinois at Urbana-Champaign},
author = {Rykhlevskii, Andrei and Huff, Kathryn},
month = jun,
year = {2019},
doi = {10.5281/zenodo.3355649},
pages = {1--23}
}
```
90 changes: 90 additions & 0 deletions CONTRIBUTING.md
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### Thanks for Your Help!

Contributing is so kind of you. In SaltProc, all contributions, bug reports,
bug fixes, documentation improvements, enhancements and ideas are welcome.

The [GitHub "issues" tab](https://github.com/arfc/saltproc/issues)
contains some issues labeled "Difficulty:1-Beginner". Those are open issues
that would be a good quick way to get started. Browse them to see if you want
to get started on one.

#### Bug Reports

- Please include a short but detailed, self-contained Python snippet or
explanation for reproducing the problem.

- Explain what the expected behavior was, and what you saw instead.

##### Instructions for setting up a development environment

The SaltProc is compatible with Python >=3.5. Anaconda is the recommended
distribution to use to work on SAltProc; we will assume that if you want to use
another distribution or your own set up, you can translate the instructions.

You can download Anaconda at https://www.continuum.io/Downloads for the full
install. You can also download a mini Anaconda install for a bare-bones
install -- this is good for a build server or if you don't have much space.
The mini Anaconda installs are available at https://conda.io/miniconda.html.

Once your Anaconda package is installed and available, create a Python 3.6
environment in Anaconda --

- conda create -q -n saltproc-test-environment python=3.6 scipy numpy matplotlib pytest pytables flake8

Each of these commands will take a bit of time -- give it a few minutes
to download and install the packages and their dependences. Once complete,
switch to each and install additional packages needed to run and test.

Activate the 3.6 environment and install pyne, networkx and pydotplus

- source activate saltproc-test-environment
- conda install -c conda-forge pyne networkx pydotplus

##### Setup Serpent Monte Carlo code environment

The SaltProc assumes that Serpent directory is added in ``$PATH`` as follows:

- export PATH="/path/to/serpent/executable:$PATH"

##### Run the tests

Tests are automatically detected and run with pytest. Start in the root
directory where you have cloned the saltproc repository and run in development
environment

- source active saltproc-test-environment
- py.test saltproc

##### Run style tests with flake8

Adherance to style checks in flake8 is encouraged though not strictly
enforced. While you should not feel compelled to fix existing failures,
please do not add additional flake8 issues.

- run flake8 from the root of the pyrk working directory to get all flake8 issues
- run flake8 and provide a filename to just run checks on that file

##### Pull Requests

- **Make sure the test suite passes** on your computer. To do so, run
`py.test saltproc` in the repository directory.
- Please reference relevant Github issues in your commit message using
`GH1234` or `#1234`.
- Changes should be PEP8 compatible [PEP8](http://www.python.org/dev/peps/pep-0008/).
- Keep style fixes to a separate commit to make your PR more readable.
- Docstrings ideally follow the [sphinx autodoc](https://pythonhosted.org/an_example_pypi_project/sphinx.html#function-definitions)
- Write tests.
- When writing tests, please make sure they are in a `tests` directory.
- When you start working on a PR, start by creating a new branch pointing at the latest
commit on github master.
- The SaltProc copyright policy is detailed in the
[LICENSE](https://github.com/arfc/saltproc/blob/master/LICENSE).

#### More developer docs

* We are working on it.


#### Meta
Note, this contributing file was adapted from the one at the
[pandas](https://github.com/pydata/pandas) repo. Thanks pandas!
20 changes: 0 additions & 20 deletions LICENSE_shablona

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