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Run CCS/VTZ for [H] instead of more complex WF methods

Module: Main

Module: Plotter

Module: Scheduler

Module: Species

Module: SSH

Status: Open (in progress).

ReactionMechanismGenerator/ARCnumber 790

#790 In ReactionMechanismGenerator/ARC;

· alongd opened on May 24, 2025

Use the molecule repo instead of RMG for objects

Module Functional

Module: Conformers

Module: Converter

Module: Main

Module: Mapping

Module: Parser

Module: Plotter

Module: Processor

Module: Scheduler

Module: Species

Module: SSH

Module: trshTroubleshootingTroubleshooting

Status: Open (in progress).

ReactionMechanismGenerator/ARCnumber 789

#789 In ReactionMechanismGenerator/ARC;

· alongd opened on May 9, 2025

Hydrolysis families and tests

Module: Converter

Module: Main

Module: Mapping

Module: Plotter

Module: Processor

Module: rmgdb

Module: Scheduler

Module: Species

Status: Open (in progress).

ReactionMechanismGenerator/ARCnumber 770

#770 In ReactionMechanismGenerator/ARC;

· LeenFahoum opened on Nov 13, 2024

conformer search with solvation effect

Module: Conformers

Module: Main

Module: Scheduler

Module: Species

Status: Open (in progress).

ReactionMechanismGenerator/ARCnumber 737

#737 In ReactionMechanismGenerator/ARC;

· JintaoWu98 opened on Mar 4, 2024

QChem Adapter & Molpro Updates

Module: Converter

Module: Local

Module: Main

Module: Mapping

Module: Parser

Module: Plotter

Module: Scheduler

Module: Species

Module: trshTroubleshootingTroubleshooting

Status: Open (in progress).

ReactionMechanismGenerator/ARCnumber 712

#712 In ReactionMechanismGenerator/ARC;

· calvinp0 opened on Nov 14, 2023

Azure server

Module: Conformers

Module: Converter

Module: Main

Module: Parser

Module: Scheduler

Module: Species

Module: SSH

Module: trshTroubleshootingTroubleshooting

Topic: ESSElectronic Structure SoftwareElectronic Structure Software

Topic: Server

Type: Code Organization

Type: Environment

Type: trshTroubleshootingTroubleshooting

Status: Open (in progress).

ReactionMechanismGenerator/ARCnumber 689

#689 In ReactionMechanismGenerator/ARC;

· calvinp0 opened on Jul 30, 2023

Only process

Module: Main

Module: Plotter

Module: Scheduler

Module: Species

Status: Open (in progress).

ReactionMechanismGenerator/ARCnumber 653

#653 In ReactionMechanismGenerator/ARC;

· alongd opened on May 10, 2023

Added a function to add backslash before a space

Do not merge

Module: Main

Status: Open (in progress).

ReactionMechanismGenerator/ARCnumber 541

#541 In ReactionMechanismGenerator/ARC;

· MichalKesl opened on Aug 10, 2022

Allow user to input paths to previous jobs

Module: Main

Module: Processor

Type: Feature

Status: Open (in progress).

ReactionMechanismGenerator/ARCnumber 393

#393 In ReactionMechanismGenerator/ARC;

· amarkpayne opened on May 7, 2020