Release 1.2

[danielhollas]

• Update documentation in the source code from latest version on Overleaf
• Bump ABIN_VERSION to 1.2 in src/compile_info.F90
• Update authors in init.F90:print_logo
• add citation.cff
• Add eshift to restart file to preserve continuity #168
• Interfaces to ChemShell #208
• Make a release, include a Documentation as a PDF
• rename &nchopt

Post-release

• • Bump ABIN_VERSION to 1.3-dev
• • Update README, add link to PDF documentation
• • Check correct data in citation.cff after release

[danielhollas]

Most important question, are we happy with the ABIN ASCII logo?

                   _____     _    _      _    
         /\       |  _  \   | |  |  \   | |    
        /  \      | |_|  |  | |  | | \  | |    
       / /\ \     |     /   | |  | |\ \ | |    
      / /__\ \    |=====|   | |  | | \ \| |    
     / /____\ \   |  _   \  | |  | |  \ | |    
    / /      \ \  | |_|  |  | |  | |   \  |    
   /_/        \_\ |_____/   |_|  |_|    \_|    

Maybe something simpler? (generated by banner ABIN

   #     ######   ###  #     #  
  # #    #     #   #   ##    #  
 #   #   #     #   #   # #   #  
#     #  ######    #   #  #  #  
#######  #     #   #   #   # #  
#     #  #     #   #   #    ##  
#     #  ######   ###  #     #

Generated by Claude

   ___    ____  ____  _   __
  / _ \  / __ )/  _/ / | / /
 / __ | / __  |/ /  /  |/ / 
/_/ |_|/_/ /_/___/ /_/|__/

[JanosJiri]

Claude looks dynamical, but ARIN?

What about

             X                          X      XX       X
            XX       XXXXXXX            X      X X      X
           XXX      XX      XX          X        XX     X
           XX X               X         X       X X     X
         XXX  X       X      XX         X          X    X
         XX   XX      X XXXXXX          X       X  XX   X
        XX     X      XXXX X XXXXXXX    X       X   XX  X
       XXXXXXXXXX      X            XX  X       X    X  XX
      XX        XX     X             XX X        X   XX  X
     XX         XXX     X            XX X        X    XX X
     X           XX     X           XX  XX       X     XXX
    XX            XX    X      XXXX      X       X      XX
   XX              X    XXXXXXX          X       X       X
   X

    XX X XXXX XX XXXX XXX XX X X X X XXXXX X XXX X  XX XXXX X
XXXX                                                         XXXX

or

                                                               A 
                AA     A    AAAAA         A       AA          AAA
               AAAA   AAAAAAAAAAAAA      AAA     AAAA         AAA
             AAAAAA    AAAAAAAAAAAAA     AAA     AAAAAA       AAA
            AAAAAAA    AAAAA     AAAA     AAA    AAAAAAA      AAA
          AA AA AAA     AAA       AAA     AAAA   AAA AAAA     AAA
         AAAA   AAA      AA       AAA      AAA    AAA AAA     AAA
        AAAA    AAA     AAAA      AAA       AA    AAA  AAA    AAA
       AAAA      AAA     AAA      AAA       AAA    AAA AAA    AAA
      AAAAAAAAAAAAAA     AAAA  AAAAA        AAA    AAA  AAA   AAA
     A AAAAAAAAAAAAA     AAAAAAAAAAAA       AAA     AAA AAA   AAA
    AAA AAAAAAAAAAAA    AAAAAAAAAAAAAAA     AAA     AAA  AAA AAA 
   AAAA          AAA    AAA  AAAAAAAAAAA    AAA     AAA  AAA AAA 
  AAAA           AAA    AAA         AAAA    AAA     AAA  AAAAAAA 
 AAAA            AAA    AAAA        AAAA   AAA     AAA   AAAAAA  
AAAAA            AAA   AAAAAAAAAAAAAAAA    AAA     AAA    AAAA   
AAAA             AAA   AAAAAAAAAAAAAAA    AAAA    AAAA    AAAA   
 AA               A     A  AAAAAAAAAA     AAA      AA      AA    

Generated by https://www.asciiart.eu/ascii-draw-studio/app

Or with ChatGPT:

                  @%@%@%%%%%@%@%         %%%@@@%%@@%@@%         @@@@%  %@%@          %%%%%%           
                 %@%%        %%%%        %@          %@%%       %%%%%  %%%%@         %@%@%%           
                @%%@         *%@@        @% @%        @%@@%     %%@%%  %@% @%        %@%@%%           
                @@@%          %@%%       %@ %@        @@@%@     %%@%%  @%%  @@       %@%@%%           
               %@%%            %%%%      @% @%        @%%%%     %%%%%  @%@  @%*      @@%@%%           
              @%%@             @@@@%     %@ %@        @@@@%     %@@%%  %%%   @%      @@@@%%           
             @@ %@              @% @%    %@ @%        @%%@@     %%%@%  @%@ %  @%     @@%@%@           
            @@@%%               %%.@%    @% @@       %%@@       %%@@%  @%@ %   %%    @@%@@%           
            @@%%@               %@.%@    %@@%@%%%%@%%@%%        %%%%%  %@% @   *%%   @@%@%%           
            @@%%%               %%.@%    @@          %%%%       %%%%%  %@% %    @@*  @%%@@%           
            @%@%@               @@.%%    @% @%         %%%@     %%%@@  @@% %     @@  %%%@%%           
            @@@@@%%@@@@%%@@%%%%@@@.%%    %@ %%           %%%@   %%%@@  %%% %      %@ %%@@@%           
            @%@%@               %@:%@    %@ %@           @@%@   %%@%%  %@% %       @@%%@@%%           
            @%@%%               %@:%%    %@ %@           %%@%   %@%@%  @@@ %       @%%%@@@%           
            @%@%@               %%-%@    %@ @%           %%%%   %@@%%  %@% %        %%@@@%%           
            @@@@%               %@*%@    @@ %%           %@%@   %@%%@  %%% %         %%@%%%           
            @%@%%               %%@%@    @% %@           %%@%   %%%%@  %%% @          @@#%%           
            @%%@@               @@@@%    %% @%           @%@@   %@%@@  %%@.%          @%@@%           
            @%%%@               %@%@%    %@ %%          @%%%%   %@@%%  @%%:%           @%%%           
            @%@%@               @@%%%    @%            %@@%     %@%%@  @@%:@            @%%           
           @%@%@%%@             %%%@%    %%%@%%%%@%%@%@%@       %@%@%  %@@@%

Just having fun while Petr is talking.

[danielhollas]

#168

I am postponing this for the 1.2.1 release.

[danielhollas]

It's done! I've moved the remaining issues into the 1.2.1 milestone.

[danielhollas]

Check correct data in citation.cff after release

I think this worked, but can you check @JanosJiri

[JanosJiri]

I checked the citation.cff and the release date does not match: date-released: 2025-10-07.

[danielhollas]

Ah, shucks, good point. TBH I didn't even realize that the citation is version-specific. Would you mind sending a PR for this? You could also update the authors (per email discussion), I can then update them on Zenodo (I think). I think we can add all the people in the Contributor list on GitHub: https://github.com/PHOTOX/ABIN/graphs/contributors
Also I think Ondra Svoboda should be there as he did some initial work on Surface Hopping.