v1.3.1

Changes since v1.3.0

• bumped to 1.3.1 (cf74e97)
• Version check module (bccc487)
• added version check functions. (ee25323)
• check for updates phil parameter. (cd1f88f)
• Version check help (23bfbaf)
• aadded check into version control. Fail if version != tag (37c7c4b)
• Update README.md about version control (8610f9d)
• Added update check into options (063f464)

Full changelog: v1.3.0...v1.3.1

v1.3.0

Changes since v1.2.0

• update README.md (0158db8)
• removed draw ideal row from cshm (5492110)
• moved some thigns in the UI (efc8a15)
• Included cshm and csom tables (6504e85)
• Csom run csv parser and table builder. (430690c)
• CShM now has a stored run system. (5502b74)
• IDeal polyhedra tab (1709686)
• phil parameters now have information about polyhedra draw (28ed603)
• updated help (1e13347)
• separated cosmo's modules into tabs. (1080d0f)
• renamed (45ba260)
• Made functions for ideal polyhedra showing. (aecbc59)
• ideal_overlay.py handles drawing polygons on screen. (fefedec)
• Changed tab names (94e2c92)
• Fixed a bug that caused terminals flashing when opening the plugin tab. (0e74859)
• update GUI and helper texts. (7c3696f)
• update README.md (7cb7649)
• Fixed bug where pointing another executable to shape.exe will return a false positive. (1b27b51)
• Update helper texts. (52686b2)
• Update README.md (42297b0)
• MOved extras to Options in GUI (129d3be)
• MOved extras to Options in GUI (4d6cbdb)
• Updated README.md (5a30b13)
• Updated README.md (8c807ea)

Full changelog: v1.2.0...v1.3.0

v1.2.0

Changes since v1.0.2

• Rebrand to Timeo (0213af7)
• Added LICENSE.md (67ef7fd)
• Added licence headers and updated README.md to have the licence declaration. (a634189)
• update README.md with clarifications about features. (f0cbc5a)
• update README.md with clarifications about features. (b529ef3)
• can_find_shape_exe() is now check_shape() (f954d19)
• options to exclude H and part codes. (8f8148d)
• Refactor of the main functions. (9a5f7d7)
• added split by codes. Overwrites behaviour of split by parts to handle disorder. (f8832ca)
• added troubleshooting guide to README.md (2e63e67)
• Added options to handle disorder and H exclusion (9ba7477)
• Added box to specify location of the shape and cosmochlore executable. (6d2721f)
• Added SHAPE 2.1 path option. (f4f5b8c)
• Added SHAPE 2.1 path option. (fdb2936)

Full changelog: v1.0.2...v1.2.0

v1.0.2

Minor changes. Added support for the finer controls of the optimisation.
Cosmochlore support bumped to 1.2.0 or up.

Changes since v1.0.1

• Bumped minimum version of cosmochlore to 1.2.0 (3e53216)
• added disclaimer (54211fa)
• Added support for --seeds, --interations and --tolerance arguments in cosmochlore's csom. (c365b79)
• Added support for --seeds, --interations and --tolerance arguments in cosmochlore's csom. (d303ed9)
• Update README.md (0b60989)
• Cleaned up UI and help dialogs. (8b5e759)
• Update README.md (d00d706)
• Update README.md (8d06f91)
• Update README.md (340cd08)

Full changelog: v1.0.1...v1.0.2

v1.0.1

Changes since v1.0.0

• Changed minimum version of cosmochlore.exe to 1.1.0 (8f7acba)
• Added better html UI (496e0cc)

Full changelog: v1.0.0...v1.0.1

v1.0.0

Changes since beta-0.3

• Rebrand to Timaeus (62b04e0)
• Rebrand to Timaeus (e9beb30)
• added a release workflow on tag push. (0316fa5)
• fixed reload all to dinamically know the plugin dir. (8ebeb69)
• deleted old ref files (bfa1f06)
• Renamed to Timaeus (9d69120)
• added yaml reference files (0a1b635)
• deleted old reference files (b29b1d3)
• added venv to gitignore (8d0e5a8)
• Added .github and .gitignore to export-ignore (1ecfa21)
• Full cosmochlore.py implementation. (cbd5b4e)
• Defined img (5433856)
• created phil params for the plugin. (47d9f11)
• Reworked all of the htm UI. (c611d9b)
• created autoXXXX functions for each subcommand of cosmochlore. (2863182)
• Added phil parameters for the module. (50dbe79)
• moved as bool to helper_functions.py (8a0f471)
• Clean up plugin code ahead of cosmochlore integration (8011ac0)
• Update README.md (6267254)
• Update README.md (08652f1)
• Update README.md (456c5b7)
• Update README.md (8130c99)
• Error handling. (7797400)
• Update .gitattributes (4343f61)

Full changelog: beta-0.3...v1.0.0

Symmetry Measurements v0.3: Disorder

Part handling is automatic for autoshape and autoctadist. Plugin is close to completion. v1.0 might come soon 😄.

Full Changelog: beta-0.2...beta-0.3

Symmetry Measurements v0.2: Centroids!

Non centered shapes now work better.
Centroid search for organometallic ligands implemented.

Full Changelog: beta-0.1.3...beta-0.2

Symmetry Measurements v0.1.3: Non-centered shapes.

Non centered shapes are now supported by selecting multiple atoms.

Symmetry Measurements v0.1.2

Now with prettier HTML panel!