============= Release Notes ============= V1.1 (Beta) ----------- We are pleased to announce the release of LITESOPH version 1.1 (beta), which brings a range of enhancements and updates to improve your experience and productivity. Below are the key changes in this release: Workflow Mode Enhancements: ^^^^^^^^^^^^^^^^^^^^^^^^^^^ * General Improvements: Integration of Pump-Probe across all engines, and resolution of cloning issues for all workflows, except for Pump-Probe. * Engine Specific Updates: * GPAW: Fully operational (Previously, pump probe was not working properly) * OCTOPUS: All features now functional; previously, only "Compute Spectrum" was operational. Task Mode Updates: ^^^^^^^^^^^^^^^^^^ * Enhanced post-processing capabilities including Compute Spectrum, Masking, KSD, and Molecular Orbital Population. * Successful integration of all the engines in task mode. * Automaticly updates to task dependencies to use the most recent related task. User Interface and Usability Improvements: ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ * GUI Enhancements: Immediate updates in the OCTOPUS script upon GUI changes. * Laser Design: Refined units on the multiple lasers page for precise design. * Script Adjustments: Accurate reflection of box dimension changes in scripts. * Stability Improvements: 'Proceed' button remains disabled until task completion. * 'Proceed' button takes you back to the main page in task mode. Documentation and Support: ^^^^^^^^^^^^^^^^^^^^^^^^^^ * Extensive updates to documentation for clearer guidance and support. Future Updates: ^^^^^^^^^^^^^^^ * Under Development: * Development of cloning functionality for the Pump-Probe workflow. * Windows compatibility efforts to enhance accessibility. * Multiplicity option and Spin unrestricted calculation are currently disabled. * Implementing more features for NwChem. * Integration of TAS in task mode. * Ongoing works: * Non-Adiabatic dynamics * QMMM tools for large scale systems * Plasmonicity Index calulator * Aggregate Hamiltonian mapper