Ecosyste.ms: Issues

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GitHub / gwydionjon/orca_script_manager issues and pull requests

#51 - Update documentation

Pull Request - State: open - Opened by GwydionJon 2 months ago

#50 - New bug fixes

Pull Request - State: closed - Opened by GwydionJon 2 months ago

#49 - Bug fixes

Pull Request - State: closed - Opened by GwydionJon 6 months ago

#48 - add logger window to managment tab

Issue - State: closed - Opened by GwydionJon 6 months ago

#47 - Update documentation

Pull Request - State: closed - Opened by GwydionJon 6 months ago

#46 - Fix batch config entry when continuing prvious run

Pull Request - State: closed - Opened by GwydionJon 6 months ago

#45 - More stuff to add

Issue - State: open - Opened by GwydionJon 6 months ago

#44 - Connectivity check

Pull Request - State: closed - Opened by GwydionJon 6 months ago

#43 - Make slurm watch tab

Pull Request - State: closed - Opened by GwydionJon 6 months ago

#42 - Auto open browser window

Pull Request - State: closed - Opened by GwydionJon 6 months ago

#41 - Manage walltime errors

Pull Request - State: closed - Opened by GwydionJon 6 months ago

#40 - Show workspaces in gui

Pull Request - State: closed - Opened by GwydionJon 7 months ago

#39 - Auto resource allocation

Pull Request - State: closed - Opened by GwydionJon 7 months ago

#38 - added buttons to open output files

Pull Request - State: closed - Opened by GwydionJon 7 months ago

#37 - Collect xyz files

Pull Request - State: closed - Opened by GwydionJon 7 months ago

#36 - Add default config save

Pull Request - State: closed - Opened by GwydionJon 7 months ago

#35 - Add detailed information screen

Pull Request - State: closed - Opened by GwydionJon 7 months ago

#34 - remove empty space between detailed figures

Issue - State: open - Opened by GwydionJon 7 months ago

#33 - Create orca output parser

Pull Request - State: closed - Opened by GwydionJon 7 months ago

#32 - Results window

Pull Request - State: closed - Opened by GwydionJon 7 months ago

#31 - Fix bug in remote start

Pull Request - State: closed - Opened by GwydionJon 7 months ago

#30 - added live view of submission progress

Pull Request - State: closed - Opened by GwydionJon 7 months ago

#29 - Fixed missing data in install

Pull Request - State: closed - Opened by GwydionJon 7 months ago

#28 - added dash import test

Pull Request - State: closed - Opened by GwydionJon 7 months ago

#27 - Open remote ssh tunnel

Pull Request - State: closed - Opened by GwydionJon 7 months ago

#26 - refactored dash ui

Pull Request - State: closed - Opened by GwydionJon 8 months ago

#25 - Change mol csv to json

Pull Request - State: closed - Opened by GwydionJon 8 months ago

#24 - Collect finished run

Pull Request - State: closed - Opened by GwydionJon 8 months ago

#23 - Stuff to add

Issue - State: open - Opened by GwydionJon 8 months ago - 6 comments

#22 - Add submit limitation

Pull Request - State: closed - Opened by GwydionJon 8 months ago

#21 - Refactor slurm info grab

Pull Request - State: closed - Opened by GwydionJon 8 months ago

#20 - Replace copying and tar with move

Pull Request - State: closed - Opened by GwydionJon 8 months ago

#19 - Restructure output dir

Pull Request - State: closed - Opened by GwydionJon 8 months ago

#18 - Add data collection to config maker

Pull Request - State: closed - Opened by GwydionJon 8 months ago

#18 - Add data collection to config maker

Pull Request - State: closed - Opened by GwydionJon 8 months ago

#17 - Add data collection to config maker

Pull Request - State: closed - Opened by GwydionJon 8 months ago

#16 - Fix bug when copying trj.xyz instead of xyz

Pull Request - State: closed - Opened by GwydionJon 8 months ago

#15 - Collect slurm log data

Pull Request - State: closed - Opened by GwydionJon 8 months ago

#14 - Collect inputs

Pull Request - State: closed - Opened by GwydionJon 8 months ago

#13 - Updated finished dir structure

Pull Request - State: closed - Opened by GwydionJon 8 months ago

#12 - Testing on justus

Pull Request - State: closed - Opened by GwydionJon 8 months ago

#11 - Cli

Pull Request - State: closed - Opened by GwydionJon 9 months ago

#10 - Restart previous run

Pull Request - State: closed - Opened by GwydionJon 9 months ago

#9 - Add parallel stages support

Pull Request - State: closed - Opened by GwydionJon 9 months ago

#8 - Filenames too long

Issue - State: open - Opened by GwydionJon 9 months ago

#7 - Batch manager

Pull Request - State: closed - Opened by GwydionJon 9 months ago

#6 - Implement work manager

Pull Request - State: closed - Opened by GwydionJon 9 months ago

#5 - Implement orca module

Pull Request - State: closed - Opened by GwydionJon 9 months ago

#4 - Create module template

Pull Request - State: closed - Opened by GwydionJon 9 months ago

#3 - added modular config and dir creation

Pull Request - State: closed - Opened by GwydionJon 9 months ago

#2 - Start reading smiles

Pull Request - State: closed - Opened by GwydionJon 9 months ago

#1 - added minimal module input

Pull Request - State: closed - Opened by GwydionJon 9 months ago