Changelog

v0.22.4 (2023-10-04)

v0.22.3 (2023-08-29)

Fix

Adding deepcopy of q to avoid it being modified internally (afe48ce)

v0.22.2 (2023-08-25)

Fix

Update ccs_ase_G2B.py (e34b03b)

v0.22.1 (2023-08-23)

Fix

Fixed export FF script to account for crashes (6b8d1a1)
ccs_export_sktable.py: Removed redundant AA to Bohr conversion (a829f9c)

v0.22.0 (2023-08-07)

Feature

Adding rmse.json output (be6d5bc)

v0.21.9 (2023-08-03)

v0.21.8 (2023-06-16)

v0.21.7 (2023-06-16)

Documentation

Small change to README to check ci-cd change (12e0f92)

v0.21.6 (2023-05-25)

Fix

ccs_fetch: Removed redundant print statements (60d39d9)

v0.21.5 (2023-05-25)

v0.21.4 (2023-05-23)

Fix

Fixed error for systems with no PBC (d5e01fb)

v0.21.3 (2023-04-20)

Fix

ccs_fetch: Sorting elements alphabetically dict_species (822f5cd)

v0.21.2 (2023-04-13)

Fix

ccs_validate: Adding deepcopy to make sure that dicts are not muted globally (6003e62)

v0.21.1 (2023-04-13)

Fix

ccs_validate: Adding deepcopy to make sure that dicts are not muted globally (b39924f)
objective.py: Bug in assignment of exp_c (e9db52e)

v0.21.0 (2023-04-05)

Feature

Adding exporting of GULP and LAMMPS splines (01f9e97)

v0.20.3 (2023-04-03)

v0.20.2 (2023-03-30)

v0.20.1 (2023-03-30)

v0.20.0 (2023-03-28)

Feature

ccs_ase_calculator: Working implementation of stress tensor (4e61924)

Documentation

Adding stress tensor calculation example (ea8d823)

v0.19.2 (2023-03-23)

v0.19.1 (2023-03-22)

v0.19.0 (2023-03-21)

Feature

First attempt at adding a pruning feature (0722c74)

Fix

ccs_validate: Adding linear calculator to fix empty database entries (66c5ee2)
Do more include_forces checks (13d3cb7)

Documentation

Adding iterative fitting tutorial (2cb50eb)

v0.18.4 (2023-03-21)

v0.18.3 (2023-03-21)

v0.18.2 (2023-03-20)

v0.18.1 (2023-03-14)

v0.18.0 (2023-03-14)

Feature

New fetch (6c3485a)
Removed key check (fe08e63)
Removed key check (8452c06)

Fix

Remove print statements (81f709b)
Add more print statements (18fa1f2)
Add more print statements (733b01d)
Add pyproject 0.13.2 (e51bcdd)
Add pyproject 0.13.2 (345d55e)

v0.17.1 (2023-03-14)

Documentation

Updated basic tutorial for presentation (9269571)
Updated basic tutorial for presentation (766900d)
Removing large files (7b819bc)
Adding ZnO to examples (4e540a5)

v0.17.0 (2023-03-09)

Feature

Adding dense spline table and Pedone fit to export_FF (10411d6)
Fix ridge regression implementation (eb0bf99)

Fix

Fixed art print (d00eff7)
Fixed typo in Ewald call (ae57db4)

Documentation

Updating MD tutorials (981008e)

v0.16.1 (2023-03-08)

Documentation

Adding NaCl MD tutorial (8db22cf)

v0.16.0 (2023-03-07)

Feature

Adding ridge regression (c3f3b96)

v0.15.1 (2023-03-07)

Fix

ccs_export_FF: Remove Greek symbols (c0b2595)

v0.15.0 (2023-03-07)

Feature

Adding forces to mode CCS2Q (57deedb)

v0.14.16 (2023-03-03)

v0.14.15 (2023-03-02)

Documentation

Adding materials for kickstarting a ccs fit (f303357)

v0.14.14 (2023-03-02)

Documentation

LJ.db: Adding LJ.db to basic example (caaa664)

v0.14.13 (2023-03-02)

v0.14.12 (2023-03-02)

Documentation

Delete correlation gif which has been replaced (e1de6d7)

v0.14.11 (2023-03-01)

Documentation

Add funding from eSSENCE (6a89c54)

v0.14.10 (2023-03-01)

Documentation

New logo! (1667953)
New logogit add logo.png ! (32cced5)
Adding logo generating notebook to this branch (aa30db2)
Trying gif as logo (251e408)
Add gif for logo (205a3ad)

v0.14.9 (2023-02-27)

Documentation

Updated the output of the merging interval routine (6ef3084)

v0.14.8 (2023-02-10)

Documentation

Adding comments for potential force weighting (748bbdb)

v0.14.7 (2023-02-10)

Documentation

README: Add python version shield (7da132d)

v0.14.6 (2023-02-09)

Documentation

Add (not so great) ZnO example (9d77bee)

v0.14.5 (2023-02-09)

v0.14.4 (2023-02-08)

v0.14.3 (2023-02-08)

Documentation

README: Fixed overview (1667fc9)

v0.14.2 (2023-02-08)

Documentation

README: Update README to reflect new features (99bd3a1)

v0.14.1 (2023-02-08)

Documentation

Basic_Tutorial: Adding FF fitting to basic example (7399fe8)

v0.14.0 (2023-02-08)

Feature

init.py: Adding script functions to ccs_fit namespace (88f6e95)
ccs_validate.py: Add force validation option (1ca5c0e)
Adding executable for force field fitting (cd8b883)
Adding fitting of standard Force Field parameters (51de91b)
Fitting FF (fe9e645)

Fix

Corrected adding calculator to ccs_fit namespace (fa56e34)
Fixed executable for FF fitting (a6c6440)
Add nice command line intro (4b84dea)

Documentation

Basic_Tutorial: Adding FF fitting to basic example (c8f099c)
Adding force fitting to examples (88370e6)
Change title of basic tutorial in docs (0e2aabe)

v0.13.5 (2023-02-02)

Fix

Fixed basic tutorial for github pages (bf549c6)

v0.13.4 (2023-02-02)

Documentation

Updated documentation example (9c5118a)

v0.13.3 (2023-02-02)

v0.13.2 (2023-02-02)

Fix

Fix typos (d1a5c4a)

Documentation

Cleaning up examples (aa0d50f)
Clean up examples (b034c32)
Clean up examples (6dd096e)
Clean up examples (dd8aaaa)
Updated examples with CCS (1d9e3d7)
Cleaned up basic tutorial (07a419e)
Cleaned up basic tutorial (6ade6cd)

v0.13.1 (2023-02-01)

v0.13.0 (2023-02-01)

Feature

Merge branch ‘search_optimise’ (cb14905)
Adding point input option for switch search (4d44e16)
Adding switch point search based on predefined points (893bf06)
spline_functions: Adding new attributes to twobody class to deal with more explicit switch searching algorithms (dea4e54)
objective.py: Allowing more advanced switch search routines (cdf17df)

Fix

Added sorting of elements (acafd63)

Documentation

Reinstating Basic Tutorial (96c50c9)
Cleaning up search mode example (94a780a)
Added unconstrained fit notebook (05c26f7)
Updated search mode tutorials (e71718c)
Updated search mode example (67abef1)
Updated example for search mode using predefined points (102922a)
examples: Adding example to deal with search mode options (06aacd4)
conf.py: Updated title to CCS_fit (64b9069)

v0.12.5 (2023-02-01)

Documentation

Updated basic tutorial (f5c99b6)

v0.12.4 (2023-01-30)

Documentation

README: Updated shields (82a082a)

v0.12.3 (2023-01-24)

v0.12.2 (2023-01-24)

Documentation

Fixed pip install command code block (672d361)

v0.12.1 (2023-01-20)

v0.12.0 (2023-01-19)

Feature

Merging force fitting functionality into main (45e95ad)

Documentation

README: Change to reflect namechange to ccs_fit (6fd5920)
README: Change to reflect namechange to ccs_fit (08e6421)

v0.11.18 (2023-01-13)

v0.11.17 (2023-01-13)

Documentation

Adding pymatgen and scikit-learn installation instructions to examples (8643266)

v0.11.16 (2023-01-13)

v0.11.15 (2023-01-12)

Documentation

Adding metadata to pyproject.toml (c35ac7a)

v0.11.14 (2023-01-12)

v0.11.13 (2023-01-12)

Documentation

Updated installation guide with pip (65ca509)

v0.11.12 (2023-01-12)

v0.11.11 (2023-01-12)

v0.11.10 (2023-01-11)

Documentation

Removed redundant notebook examples (e5c5380)
Removed redundant example notebooks (f430b74)

v0.11.9 (2023-01-11)

Documentation

README: Removed shield url in text (5dca9e7)

v0.11.8 (2023-01-11)

Fix

Fixed typo in regression.py (efa9464)

v0.11.7 (2023-01-11)

Fix

Added warning to CCS_regressor (da9a70d)

v0.11.6 (2023-01-11)

v0.11.5 (2023-01-11)

v0.11.4 (2023-01-11)

Fix

Complete merge (65df0ee)
Fixed typo in objective.py (c0240ac)
Added dependency to poetry lock (3caac56)
Fixed bugs regarding testing of existing files (e794c66)

Documentation

Made examples compliant with recent changes (9d38851)

v0.11.3 (2023-01-11)

v0.11.2 (2023-01-10)

Documentation

Updated install guidelines in README (361b688)

v0.11.1 (2023-01-05)

Fix

Manually bump version number (007114e)

v0.11.0 (2023-01-04)

Feature

Merging intervals featured completed (e1e8f9c)

v0.10.0 (2023-01-03)

Feature

Merge implementation of empty intervals in the splines (c8d0eff)

v0.9.12 (2023-01-02)

v0.9.11 (2022-12-16)

Documentation

README: Added funding acknowledgement and authors (bf8277b)

v0.9.10 (2022-12-08)

Documentation

Update README.md to improve installation guide (95f9c6c)

v0.9.9 (2022-12-08)

Fix

Simplyfied the routine for shifting spline-table from rigth-aligned to left-aligned (0d06dca)
Simplyfied the routine for shifting spline-table from rigth-aligned to left-aligned (255f161)

v0.9.8 (2022-12-07)

Fix

Add version to ccs initialisation (2880ba1)
Removed a bug related to the trimming of inner part of the spline before printing in left aligned format have been fixed. (21a2fba)
Removed a bug related to the trimming of inner part of the spline before printing in left aligned format have been fixed. (64e34d6)

v0.9.7 (2022-12-05)

v0.9.6 (2022-11-24)

Fix

Debugging Xx-Xx twobody term error involving empty Li-Li dataset (8402e2c)

v0.9.5 (2022-11-22)

v0.9.4 (2022-11-22)

Documentation

README: Updated installation guide to include pip install poetry (b7932b7)

v0.9.3 (2022-11-21)

Documentation

Updated tree in README (b06ed0a)
Adding some useful badges to README (8229340)

v0.9.2 (2022-11-21)

Documentation

Changed copyright header files (e4b13e9)

v0.9.1 (2022-11-18)

Fix

Fixed attribute imports to ccs module (f50327f)
init.py: Fixed import statements (d918a79)
init.py: Fixed import statements (b0522a0)
init.py: Fixed import statements (4ae81c3)

v0.9.0 (2022-11-17)

Feature

Add examples for interface with LAMMPS (8e35bdf)
Spline table in LAMMPS readable format without the exponential head part. (1250808)
Added direct call of main functions in bin (b678dee)
Add automatic cd to ci-cd workflow (02209c8)
Add documentation ccs.ase_calculator.ccs_ase_calculator.CCS (0e2d5dd)

Fix

Manually override version (7f778d8)
init.py: Fixed import statements (c610455)
Revert to old version almost complete (c01ca3f)
Merging old version into master (00026c9)
Going back to old working version, new tag 0.5.1 (2d39dad)
Changed literal string identifiers to ” (f94bfa0)
Adding autodocs to pyproject.toml did not work (3505c0b)
Trying to fix the reference to an example notebook in the (4347339)
Automatic documentation update was already implemented (86a8e85)
Just trying to fix the ci-cd crashes on github (41fb7db)
Fixed wrong name of git branch in pyproject.toml (ee2c894)
Trying to fix syntax error in CI-CD.yml (fedba02)
Fixed testing routine (1ecb1b2)
Added pandasw dependency (647cfe3)
Added sympy dependency and updated license in pyproject (91018ac)
Made changes to the CI-CD workflow again (53eedf7)
Copied pycounts version to see what goes wrong (f144e8d)
Copied pycounts version to see what goes wrong (69f1907)
Made changes to the CI-CD workflow again (bec7801)
Made changes to the CI-CD workflow again (521dc33)
Made changes to the CI-CD workflow again (1a615a1)
Made changes to the CI-CD workflow again (1c53e04)
Made changes to the CI-CD workflow again (f2d60ee)
Made changes to the CI-CD workflow again (7e3e53c)
Made changes to the CI-CD workflow again (530eb4f)
Made changes to the CI-CD workflow (a536eb4)
Fixed automatic loading of the original functions in the bin/ folder (18975a0)
Added dependency on tqdm (7b44aee)
Fixed reference to CCS calculator (99e4238)

Documentation

Updated directory tree (14b3517)
README.md: Cleaned up directory tree (53e8f63)
Updated README.md (d217a5c)
Adding notebook directly to examples, relative linking not working (9b1b28e)
examples.md: Going back to old relative link (f0d3688)
examples/gen_css.ipynb: Adding notebook to original location to test relative link (c0683cb)
examples.md: Changing relative link to example notebook (09e9eba)
index.md: Removed direct link to example notebook in index.md to see if it still runs (4eda053)
Moving example in docs folder to see if it runs (415365c)
Trying to add notebook to docs (ad18728)
Trying to add notebook to docs (087c2d5)
Adding working example (b9d2d8b)
Adding working example (faa780a)
README.md: Updated installation instructions (e215b2c)
README.md: Removed the logo. (551feb6)
Added .readthedocs.yaml file for automatic sphinx documentation build on readthedocs (f360ddd)
Added .readthedocs.yaml file for automatic sphinx documentation build on readthedocs (831cb3d)
Fixed installation guide (f6b2722)
Updated how to install CCS in README.md (8841f72)
Added Eddie Wadbro’s email address to pyproject.toml (dffe31f)
Added Eddie Wadbro’s email address to pyproject.toml (346492b)
Added documentation to ccs_validate.py (7ad9aff)
Added documentation to ccs_validate.py (30750ba)
Added documentation to ccs_validate.py (1005651)
Local documentation build (8021661)
Adding docs upload to gh-pages (842564c)
Adding docs upload to gh-pages (12ce1b3)
Revert to original documentation build, still not working as expected (4c474ef)
Moving autodocs into pyproject.toml, not very elegant (5545652)
Added documentation to ccs_validate.py to check new autodocs (c2a2350)
Trying to fix autodocs by moving documentation action to cd phase of ci-cd.yml (27360f3)
Trying to fix autodocs by adding commit and push changes to (f98f8df)
Trying to fix autodocs by adding additional commit and push changes action to ci-cd.yml (7c03ab7)
Trying to fix autodocs (a30ac5a)
Update docs Makefile to see what happens (a12708d)
Reverting to very first autodocs action (c9b2278)
Reverting to very first autodocs action (ccc35c4)
Trying new autodocs action (a061e17)
Local make clean html (93527c8)
Revert to .md invocation of dummy changelog and index files in docs (4d9a99d)
Local make clean html (c07ec96)
Changed names of dummy files for easier import (d4127d6)
Added documentation to Twobody class in spline_functions.py (5f7d8d3)
Added documentation to Twobody class in spline_functions.py (bb6acc1)
Trying to add documentation push (6c195f9)
Local make html (4f5f402)
Trying to add documentation push (227244b)
Trying to add documentation push (34e8bb7)
Adding license to documentation (4df9f35)
Add documentation (d45b1e7)
Automatic clean of documentation _build (12b8819)
Update documentation of ccs_fetch.py (e36316f)
Removed current documentation to check autodocs (82927de)
Added documentation to ccs_fetch (36bb602)
Added changelog to autodocs (d9580f6)
Added title to notebook example (485eac3)
Removed init.py to see result (18140cf)
Add working example to documentation (8f94a01)
Fix example notebook call in documentation builder (c438038)
Fix reference to example jupyter notebook (fe42702)
Fix reference to example jupyter notebook (bda0012)
Fix reference to example jupyter notebook (5881e22)
Fix reference to example jupyter notebook (1da3d7b)
Add automatic documentation building to workflow (3f383fb)
Added jupyter notebook example to documentation page (0c44e9d)
Added documentation for release v0.2.0 (1731f62)
Modified CHANGELOG.md to accommodate automatic updates from python semantic release (e3200c4)
Modified CHANGELOG.md to accommodate automatic updates from python semantic release (b34832a)
Added documentation to CI-CD workflow (6d39ace)
Modified CHANGELOG.md (aa290ef)
Added CHANGELOG.md (ff6be9a)
Automatically build html documentation using make html (ff82862)
Add sphinx-related dependencies to pyproject.toml (de58282)
Add documentation for automatic sphinx generation using make html (234554b)
“Fixed typo in installation command” (23f7713)

Performance

Add version number and automatic calculator import to init.py (1c2b479)

v0.8.1 (2022-11-15)

v0.8.0 (2022-11-15)

Feature

Add examples for interface with LAMMPS (8e35bdf)
Spline table in LAMMPS readable format without the exponential head part. (1250808)

v0.7.5 (2022-11-11)

v0.7.4 (2022-11-11)

v0.7.3 (2022-11-11)

v0.7.2 (2022-11-08)

v0.7.1 (2022-11-08)

v0.7.0 (2022-11-08)

Feature

Added direct call of main functions in bin (b678dee)
Add automatic cd to ci-cd workflow (02209c8)
Add documentation ccs.ase_calculator.ccs_ase_calculator.CCS (0e2d5dd)

Fix

Revert to old version almost complete (c01ca3f)
Merging old version into master (00026c9)
Going back to old working version, new tag 0.5.1 (2d39dad)
Changed literal string identifiers to ” (f94bfa0)
Adding autodocs to pyproject.toml did not work (3505c0b)
Trying to fix the reference to an example notebook in the (4347339)
Automatic documentation update was already implemented (86a8e85)
Just trying to fix the ci-cd crashes on github (41fb7db)
Fixed wrong name of git branch in pyproject.toml (ee2c894)
Trying to fix syntax error in CI-CD.yml (fedba02)
Fixed testing routine (1ecb1b2)
Added pandasw dependency (647cfe3)
Added sympy dependency and updated license in pyproject (91018ac)
Made changes to the CI-CD workflow again (53eedf7)
Copied pycounts version to see what goes wrong (f144e8d)
Copied pycounts version to see what goes wrong (69f1907)
Made changes to the CI-CD workflow again (bec7801)
Made changes to the CI-CD workflow again (521dc33)
Made changes to the CI-CD workflow again (1a615a1)
Made changes to the CI-CD workflow again (1c53e04)
Made changes to the CI-CD workflow again (f2d60ee)
Made changes to the CI-CD workflow again (7e3e53c)
Made changes to the CI-CD workflow again (530eb4f)
Made changes to the CI-CD workflow (a536eb4)
Fixed automatic loading of the original functions in the bin/ folder (18975a0)
Added dependency on tqdm (7b44aee)
Fixed reference to CCS calculator (99e4238)

Documentation

Updated directory tree (14b3517)
README.md: Cleaned up directory tree (53e8f63)
Updated README.md (d217a5c)
Adding notebook directly to examples, relative linking not working (9b1b28e)
examples.md: Going back to old relative link (f0d3688)
examples/gen_css.ipynb: Adding notebook to original location to test relative link (c0683cb)
examples.md: Changing relative link to example notebook (09e9eba)
index.md: Removed direct link to example notebook in index.md to see if it still runs (4eda053)
Moving example in docs folder to see if it runs (415365c)
Trying to add notebook to docs (ad18728)
Trying to add notebook to docs (087c2d5)
Adding working example (b9d2d8b)
Adding working example (faa780a)
README.md: Updated installation instructions (e215b2c)
README.md: Removed the logo. (551feb6)
Added .readthedocs.yaml file for automatic sphinx documentation build on readthedocs (f360ddd)
Added .readthedocs.yaml file for automatic sphinx documentation build on readthedocs (831cb3d)
Fixed installation guide (f6b2722)
Updated how to install CCS in README.md (8841f72)
Added Eddie Wadbro’s email address to pyproject.toml (dffe31f)
Added Eddie Wadbro’s email address to pyproject.toml (346492b)
Added documentation to ccs_validate.py (7ad9aff)
Added documentation to ccs_validate.py (30750ba)
Added documentation to ccs_validate.py (1005651)
Local documentation build (8021661)
Adding docs upload to gh-pages (842564c)
Adding docs upload to gh-pages (12ce1b3)
Revert to original documentation build, still not working as expected (4c474ef)
Moving autodocs into pyproject.toml, not very elegant (5545652)
Added documentation to ccs_validate.py to check new autodocs (c2a2350)
Trying to fix autodocs by moving documentation action to cd phase of ci-cd.yml (27360f3)
Trying to fix autodocs by adding commit and push changes to (f98f8df)
Trying to fix autodocs by adding additional commit and push changes action to ci-cd.yml (7c03ab7)
Trying to fix autodocs (a30ac5a)
Update docs Makefile to see what happens (a12708d)
Reverting to very first autodocs action (c9b2278)
Reverting to very first autodocs action (ccc35c4)
Trying new autodocs action (a061e17)
Local make clean html (93527c8)
Revert to .md invocation of dummy changelog and index files in docs (4d9a99d)
Local make clean html (c07ec96)
Changed names of dummy files for easier import (d4127d6)
Added documentation to Twobody class in spline_functions.py (5f7d8d3)
Added documentation to Twobody class in spline_functions.py (bb6acc1)
Trying to add documentation push (6c195f9)
Local make html (4f5f402)
Trying to add documentation push (227244b)
Trying to add documentation push (34e8bb7)
Adding license to documentation (4df9f35)
Add documentation (d45b1e7)
Automatic clean of documentation _build (12b8819)
Update documentation of ccs_fetch.py (e36316f)
Removed current documentation to check autodocs (82927de)
Added documentation to ccs_fetch (36bb602)
Added changelog to autodocs (d9580f6)
Added title to notebook example (485eac3)
Removed init.py to see result (18140cf)
Add working example to documentation (8f94a01)
Fix example notebook call in documentation builder (c438038)
Fix reference to example jupyter notebook (fe42702)
Fix reference to example jupyter notebook (bda0012)
Fix reference to example jupyter notebook (5881e22)
Fix reference to example jupyter notebook (1da3d7b)
Add automatic documentation building to workflow (3f383fb)
Added jupyter notebook example to documentation page (0c44e9d)
Added documentation for release v0.2.0 (1731f62)
Modified CHANGELOG.md to accommodate automatic updates from python semantic release (e3200c4)
Modified CHANGELOG.md to accommodate automatic updates from python semantic release (b34832a)
Added documentation to CI-CD workflow (6d39ace)
Modified CHANGELOG.md (aa290ef)
Added CHANGELOG.md (ff6be9a)
Automatically build html documentation using make html (ff82862)
Add sphinx-related dependencies to pyproject.toml (de58282)
Add documentation for automatic sphinx generation using make html (234554b)
“Fixed typo in installation command” (23f7713)

Performance

Add version number and automatic calculator import to init.py (1c2b479)

v0.3.54 (2022-11-04)

Documentation

Adding notebook directly to examples, relative linking not working (9b1b28e)

v0.3.53 (2022-11-04)

Documentation

examples.md: Going back to old relative link (f0d3688)

v0.3.52 (2022-11-04)

Documentation

examples/gen_css.ipynb: Adding notebook to original location to test relative link (c0683cb)
examples.md: Changing relative link to example notebook (09e9eba)

v0.3.51 (2022-11-04)

Documentation

index.md: Removed direct link to example notebook in index.md to see if it still runs (4eda053)

v0.3.50 (2022-11-04)

Documentation

Moving example in docs folder to see if it runs (415365c)

v0.3.49 (2022-11-03)

Documentation

Trying to add notebook to docs (ad18728)

v0.3.48 (2022-11-03)

Documentation

Trying to add notebook to docs (087c2d5)

v0.3.47 (2022-11-03)

Documentation

Adding working example (b9d2d8b)
Adding working example (faa780a)

v0.3.46 (2022-11-03)

Documentation

README.md: Updated installation instructions (e215b2c)

v0.3.45 (2022-11-03)

Documentation

README.md: Removed the logo. (551feb6)

v0.3.44 (2022-11-03)

v0.3.43 (2022-10-31)

Documentation

Added .readthedocs.yaml file for automatic sphinx documentation build on readthedocs (f360ddd)
Added .readthedocs.yaml file for automatic sphinx documentation build on readthedocs (831cb3d)

v0.3.42 (2022-10-31)

Documentation

Fixed installation guide (f6b2722)

v0.3.41 (2022-10-31)

Documentation

Updated how to install CCS in README.md (8841f72)

v0.3.40 (2022-10-31)

v0.3.39 (2022-10-31)

Documentation

Added Eddie Wadbro’s email address to pyproject.toml (dffe31f)
Added Eddie Wadbro’s email address to pyproject.toml (346492b)

v0.3.38 (2022-10-25)

Documentation

Added documentation to ccs_validate.py (7ad9aff)

v0.3.37 (2022-10-25)

Documentation

Added documentation to ccs_validate.py (30750ba)
Added documentation to ccs_validate.py (1005651)

v0.3.36 (2022-10-25)

v0.3.35 (2022-10-25)

v0.3.34 (2022-10-24)

v0.3.33 (2022-10-24)

v0.3.32 (2022-10-24)

v0.3.31 (2022-10-24)

v0.3.30 (2022-10-24)

v0.3.29 (2022-10-24)

v0.3.28 (2022-10-21)

v0.3.27 (2022-10-21)

Documentation

Local documentation build (8021661)

v0.3.26 (2022-10-21)

Documentation

Adding docs upload to gh-pages (842564c)
Adding docs upload to gh-pages (12ce1b3)

v0.3.25 (2022-10-21)

Documentation

Revert to original documentation build, still not working as expected (4c474ef)

v0.3.24 (2022-10-21)

Fix

Adding autodocs to pyproject.toml did not work (3505c0b)

v0.3.23 (2022-10-21)

Documentation

Moving autodocs into pyproject.toml, not very elegant (5545652)

v0.3.22 (2022-10-21)

Documentation

Added documentation to ccs_validate.py to check new autodocs (c2a2350)

v0.3.21 (2022-10-21)

Documentation

Trying to fix autodocs by moving documentation action to cd phase of ci-cd.yml (27360f3)
Trying to fix autodocs by adding commit and push changes to (f98f8df)
Trying to fix autodocs by adding additional commit and push changes action to ci-cd.yml (7c03ab7)

v0.3.20 (2022-10-21)

Documentation

Trying to fix autodocs (a30ac5a)
Update docs Makefile to see what happens (a12708d)

v0.3.19 (2022-10-21)

Documentation

Reverting to very first autodocs action (c9b2278)
Reverting to very first autodocs action (ccc35c4)

v0.3.18 (2022-10-21)

Documentation

Trying new autodocs action (a061e17)

v0.3.17 (2022-10-21)

Documentation

Local make clean html (93527c8)

v0.3.16 (2022-10-21)

Documentation

Revert to .md invocation of dummy changelog and index files in docs (4d9a99d)

v0.3.15 (2022-10-21)

Documentation

Local make clean html (c07ec96)

v0.3.14 (2022-10-21)

Documentation

Changed names of dummy files for easier import (d4127d6)

v0.3.13 (2022-10-20)

v0.3.12 (2022-10-20)

Documentation

Added documentation to Twobody class in spline_functions.py (5f7d8d3)
Added documentation to Twobody class in spline_functions.py (bb6acc1)
Trying to add documentation push (6c195f9)
Local make html (4f5f402)
Trying to add documentation push (227244b)

v0.3.11 (2022-10-20)

Documentation

Trying to add documentation push (34e8bb7)

v0.3.10 (2022-10-20)

Documentation

Adding license to documentation (4df9f35)

v0.3.9 (2022-10-20)

v0.3.8 (2022-10-20)

Documentation

Add documentation (d45b1e7)

v0.3.7 (2022-10-20)

Documentation

Automatic clean of documentation _build (12b8819)

v0.3.6 (2022-10-20)

Documentation

Update documentation of ccs_fetch.py (e36316f)

v0.3.5 (2022-10-20)

Documentation

Removed current documentation to check autodocs (82927de)

v0.3.4 (2022-10-20)

Documentation

Added documentation to ccs_fetch (36bb602)

v0.3.3 (2022-10-20)

Documentation

Added changelog to autodocs (d9580f6)

v0.3.2 (2022-10-20)

Documentation

Added title to notebook example (485eac3)

v0.3.1 (2022-10-20)

Documentation

Removed init.py to see result (18140cf)

v0.3.0 (2022-10-19)

Feature

Added direct call of main functions in bin (b678dee)

v0.2.11 (2022-10-19)

Documentation

Add working example to documentation (8f94a01)

v0.2.10 (2022-10-18)

Documentation

Fix example notebook call in documentation builder (c438038)

v0.2.9 (2022-10-18)

Documentation

Fix reference to example jupyter notebook (fe42702)

v0.2.8 (2022-10-18)

Fix

Trying to fix the reference to an example notebook in the (4347339)

Documentation

Fix reference to example jupyter notebook (bda0012)

v0.2.7 (2022-10-18)

Documentation

Fix reference to example jupyter notebook (5881e22)

v0.2.6 (2022-10-18)

Documentation

Fix reference to example jupyter notebook (1da3d7b)

v0.2.5 (2022-10-18)

Fix

Automatic documentation update was already implemented (86a8e85)

v0.2.4 (2022-10-18)

Documentation

Add automatic documentation building to workflow (3f383fb)

v0.2.3 (2022-10-18)

Documentation

Added jupyter notebook example to documentation page (0c44e9d)

v0.2.2 (2022-10-18)

v0.2.1 (2022-10-17)

Fix

Just trying to fix the ci-cd crashes on github (41fb7db)’

v0.2.0 (17/10/2022)

Feature

Add automatic cd to ci-cd workflow (02209c8)
Add documentation ccs.ase_calculator.ccs_ase_calculator.CCS (0e2d5dd)

Fix

Fixed wrong name of git branch in pyproject.toml (ee2c894)
Trying to fix syntax error in CI-CD.yml (fedba02)
Fixed testing routine (1ecb1b2)
Added pandasw dependency (647cfe3)
Added sympy dependency and updated license in pyproject (91018ac)
Made changes to the CI-CD workflow again (53eedf7)
Copied pycounts version to see what goes wrong (f144e8d)
Copied pycounts version to see what goes wrong (69f1907)
Made changes to the CI-CD workflow again (bec7801)
Made changes to the CI-CD workflow again (521dc33)
Made changes to the CI-CD workflow again (1a615a1)
Made changes to the CI-CD workflow again (1c53e04)
Made changes to the CI-CD workflow again (f2d60ee)
Made changes to the CI-CD workflow again (7e3e53c)
Made changes to the CI-CD workflow again (530eb4f)
Made changes to the CI-CD workflow (a536eb4)
Fixed automatic loading of the original functions in the bin/ folder (18975a0)
Added dependency on tqdm (7b44aee)
Fixed reference to CCS calculator (99e4238)

Documentation

Added documentation to CI-CD workflow (6d39ace)
Modified CHANGELOG.md (aa290ef)
Added CHANGELOG.md (ff6be9a)
Automatically build html documentation using make html (ff82862)
Add sphinx-related dependencies to pyproject.toml (de58282)
Add documentation for automatic sphinx generation using make html (234554b)
“Fixed typo in installation command” (23f7713)

Performance

Add version number and automatic calculator import to init.py (1c2b479)

v0.1.0 (12/11/2019)

First release of ccs!