diff --git a/CHANGELOG.md b/CHANGELOG.md new file mode 100644 index 0000000..0af6744 --- /dev/null +++ b/CHANGELOG.md @@ -0,0 +1,108 @@ +# Changelog + +All notable changes to this project will be documented in this file. See +[Conventional Commits](https://conventionalcommits.org) for commit guidelines. + +## [1.0.1](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer/compare/v1.0.0...v1.0.1) (2025-08-04) + +### Features + +* add .csv export ([7cc4bd3](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer/commit/7cc4bd3dc9bd25f8fb8ad9eb5b201a70b4531154)) +* add logo ([3329f40](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer/commit/3329f4063afc7544c77077c919bd315fb8567f73)) +* add reaction template Transfer_dormant_radical_formed ([b909216](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer/commit/b909216e7a7acfc4a0509cfef961929a0733b023)) +* define reaction template Propagation_PnQnp1_changeMonomer ([5914a4c](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer/commit/5914a4c276dd2b0f5fad359bfaefd099a63c53e9)) +* Propagation_PnQnp1_changeMonomer ([61237f5](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer/commit/61237f590b3291ff4f29803afa64e75c4e60a45d)) +* set json export as default ([7e57e19](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer/commit/7e57e193328cfb911715bb21186a204c4c33ec00)) + +### Bug Fixes + +* collect reaction execution counter ([e31dee7](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer/commit/e31dee7c3d5900a12ea3344365fb88ab30cd5ca7)) +* register Transfer_dormant_radical_formed ([c3cfd91](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer/commit/c3cfd91e9fda24f59e347396a4a8352d6536a6ad)) + +## 1.0.0 (2025-06-17) + +### Features + +* add updatePressure() ([62ea152](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/62ea1523e50a4c63ac0dd29da2af6418726f4377)) +* assignment of transfer species can be determined ([2a1021d](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/2a1021d617aa64590db4ce79eb2a19d564544795)) +* backbiting only with chain length >= 4 ([bfe8b7d](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/bfe8b7d813e5649641f85a2880505dbe0bc49301)) +* expanded export of polymer products ([e1e09d4](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/e1e09d43e855bacfa8c9e424d35921114f6a9b86)) +* exportPolymerSegments as polmers to binary file ([e81f2b4](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/e81f2b4200a622a33e20b51ab1999081d5610573)) +* feed polymers from binary file ([7918693](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/79186939f158fdfb31aafeb8be7a1a8ae4635741)) +* initial state ([45764bc](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/45764bc8b5d2b39ffea24c21f1e39b5410bbea00)) +* label and filter polymers during binary export ([d6081bb](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/d6081bbf4002869177f10461a5f8ee2c71491102)) + +### Bug Fixes + +* avoid access errors to non-existent polymerMicrostructure ([11ccafb](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/11ccafb359e95fca55a8e5de94f90e4aa71af32b)) +* compiler warnings gcc ([4299c3d](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/4299c3d6856ae1c233f950a1e459fadf6e5af51f)) +* eliminate compiler warnings ([16d4b9d](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/16d4b9da62e8acfcb23d6ae82a917c76105cdfa0)) +* eliminate compiler warnings ([180135b](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/180135b604567322e3170c6a784b894551704836)) +* g++ version 13.2.0 compatibility ([c232fa9](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/c232fa976b99115454840cff1513f152882dabe3)) +* initialization only if required ([d0a2af0](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/d0a2af0797a2a79d7de7910f8d4a689ed6dd6282)) +* remove output ([68bd0d7](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/68bd0d7e2662c3ea263930a594209323d18d5e65)) +* return init ([ec68d26](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/ec68d2699297cd81acff58f1f806c12210809465)) + +## [1.0.0-beta.8](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/compare/v1.0.0-beta.7...v1.0.0-beta.8) (2025-04-15) + +### Features + +* exportPolymerSegments as polmers to binary file ([e81f2b4](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/e81f2b4200a622a33e20b51ab1999081d5610573)) +* feed polymers from binary file ([7918693](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/79186939f158fdfb31aafeb8be7a1a8ae4635741)) +* label and filter polymers during binary export ([d6081bb](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/d6081bbf4002869177f10461a5f8ee2c71491102)) + +### Bug Fixes + +* compiler warnings gcc ([4299c3d](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/4299c3d6856ae1c233f950a1e459fadf6e5af51f)) + +## [1.0.0-beta.7](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/compare/v1.0.0-beta.6...v1.0.0-beta.7) (2025-03-07) + +### Bug Fixes + +* return init ([ec68d26](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/ec68d2699297cd81acff58f1f806c12210809465)) + +## [1.0.0-beta.6](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/compare/v1.0.0-beta.5...v1.0.0-beta.6) (2025-03-05) + +### Bug Fixes + +* avoid access errors to non-existent polymerMicrostructure ([11ccafb](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/11ccafb359e95fca55a8e5de94f90e4aa71af32b)) + +## [1.0.0-beta.5](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/compare/v1.0.0-beta.4...v1.0.0-beta.5) (2025-02-24) + +### Features + +* assignment of transfer species can be determined ([2a1021d](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/2a1021d617aa64590db4ce79eb2a19d564544795)) + +### Bug Fixes + +* eliminate compiler warnings ([16d4b9d](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/16d4b9da62e8acfcb23d6ae82a917c76105cdfa0)) +* eliminate compiler warnings ([180135b](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/180135b604567322e3170c6a784b894551704836)) + +## [1.0.0-beta.4](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/compare/v1.0.0-beta.3...v1.0.0-beta.4) (2025-02-17) + +### Features + +* add updatePressure() ([62ea152](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/62ea1523e50a4c63ac0dd29da2af6418726f4377)) +* expanded export of polymer products ([e1e09d4](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/e1e09d43e855bacfa8c9e424d35921114f6a9b86)) + +### Bug Fixes + +* remove output ([68bd0d7](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/68bd0d7e2662c3ea263930a594209323d18d5e65)) + +## [1.0.0-beta.3](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/compare/v1.0.0-beta.2...v1.0.0-beta.3) (2025-01-27) + +### Bug Fixes + +* initialization only if required ([d0a2af0](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/d0a2af0797a2a79d7de7910f8d4a689ed6dd6282)) + +## [1.0.0-beta.2](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/compare/v1.0.0-beta.1...v1.0.0-beta.2) (2024-12-02) + +### Bug Fixes + +* g++ version 13.2.0 compatibility ([c232fa9](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/c232fa976b99115454840cff1513f152882dabe3)) + +## 1.0.0-beta.1 (2024-11-12) + +### Features + +* initial state ([45764bc](https://gitlab.tu-clausthal.de/mcPolymer/mcpolymer-lib/commit/45764bc8b5d2b39ffea24c21f1e39b5410bbea00)) diff --git a/csm_mcPolymer2020_3667c9fc69.jpg b/csm_mcPolymer2020_3667c9fc69.jpg new file mode 100644 index 0000000..476c943 Binary files /dev/null and b/csm_mcPolymer2020_3667c9fc69.jpg differ diff --git a/mcPolymer-documentation_and_tutorial.pdf b/mcPolymer-documentation_and_tutorial.pdf new file mode 100644 index 0000000..9508a0a Binary files /dev/null and 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