v0.14.0

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

Fix

• Fixed basic tutorial for github pages (bf549c6)

v0.13.4

Documentation

• Updated documentation example (9c5118a)

v0.13.3

v0.13.3

v0.13.2

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

v0.13.1

v0.13.0

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

Documentation

• Updated basic tutorial (f5c99b6)

v0.12.4

Documentation

• README: Updated shields (82a082a)

v0.12.3

v0.12.3