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Release 2023.9.17 contains updates to the Workflows UX, Materials data import UX, a new default bank workflow calculating the Dielectric Tensor property, and multiple bugfixes and improvements. We are starting to introduce the Model/Method categorization scheme originated in https://arxiv.org/abs/2109.13452 and its ability to organize the data generated in the platform by our users. We highlight (1) New UX for Workflows and Subworkflows codename “RJSF” (ask us why) with the ability to select model/method combinations and filter the corresponding method data; (2) the combined import action for Materials grouping together the File Upload, Import from 3rd party and Import From Bank options and allowing quick access to each option in a modal, (3) added support for the calculations of the Dielectric Tensor and plotting its diagonal imaginary and real components using Quantum ESPRESSO.
Release 2023.8.17 contains a major update to the UX for search/tables, a new set of icons for platform entities, as well as some bugfixes and improvements. We highlight (1) New UX, codename “DataGrid”, with simplified flat tables (all items on one level), a right-click context menu, an added ability to use focus actions on mouse hover, new color scheme. to make the navigation around the app more intuitive, (2) a new icon set is introduced throughout the web application, and (3) added support for Quantum ESPRESSO v7.2 DFT+U calculations with hp.x for Hubbard U calculations.
Release 2023.7.13 contains a major update to the platform layout UX, additional features, some bugfixes, and improvements. We highlight (1) New web application layout codename “Mat3rialize”, (2) Workflow Designer: the Units Flowchart as a flowchart demonstrating the logical units and their connections; and (3) support for Quantum ESPRESSO v7.2 with libxc in the web application.
Release 2023.6.15 contains new features, bugfixes, and improvements. We highlight (1) New Billing/Payment Overview with Total Funds available, Compute Balance and Quota allocation for the accounts, (2) Allow for Compound Time Limit (cumulative wall time never exceeding a certain value no matter how many restarts) for restartable jobs and allow for non-restartable jobs; and (3) add support for Quantum ESPRESSO v7.2 with libxc on the command line via environment modules.
Release 2023.5.17 contains some new features, bugfixes, and improvements. We highlight (1) New Homepage with summaries for all accounts and their entities - Materials, Workflows, Jobs, Projects, Files and Properties, (2) New compact view for Workflow Units cards; and (3) the ability to edit the description for the entities (e.g. workflows) including code blocks and LaTex formulas.
Release 2023.4.13 contains several new features, bugfixes, and improvements. We highlight (1) Pro Search functionality with autocomplete for MongoDB queries; (2) the ability to sort columns in all entity explorer tables - e.g. Materials, Jobs, Workflows; and (3) the ability to name jobs based on the name of the corresponding Material or its other keys.
Release 2023.3.22 contains several new features, bugfixes, and improvements. We highlight: (1) added non-uniformity in all reciprocal cell dimensions for k-point density; (2) ability to save search queries for both Quick Search and Advanced Search; and (3) optimize registration + Explorer tables to speed up UX.
Release 2022.12.15 contains several bugfixes and improvements. The 3D Materials viewer is now centering the structure in the view when multiple structures are present in the Job Designer.
Release 2022.11.17 contains several updates focused on the new workflow - Valence Band Offsets. This workflow is designed for 2D materials and heterostructures, with MoS2/WS2 as the example use case. Multiple bug fixes were also added. Love materials and coding?
Release 2022.11.3 contains several updates focused on improving platform UI (spotlight search in the header) and performance. Multiple bug fixes were also added.
Release 2022.9.9 contains several updates focused on improving UI for Workflows. Multiple bug fixes and performance improvements were also added.
Release 2022.8.26 contains several updates focused on improving UI for Subworkflows and Units based on user feedback. Also, on cluster-007 master node was resized, and the configuration of the D queue was updated. In addition, multiple bug fixes and minor improvements ...
Release 2022.8.18 contains several updates. First is open-sourcing some of our codebase into microservices with Entity definitions for the WAMPI stack (Workflow, Application, Model, Property, Infrastructure) ADe.js, ProDe.js, MoDe.js, and WoDe.js (more details below).
For the 2022.7.21 release, we are near completing the splitting of our codebase to multiple “micro-services” to be open-sourced in the near term.
For the 2022.6.16 release, we bring some quality-of-life improvements and cosmetic adjustments to the Mat3ra platform!
In the 2022.6.2 release, we bring an often requested feature! Navigating to the bank workflows now focuses on curator-provided workflows by default!
In the 2022.5.19 release, we introduce material repetitions along independent axes in the materials viewer! We also modernized our underlying 3D visualization library, which will enable future improvements.
As part of the 2022.5.5 release of Mat3ra, we upgraded Material-UI for our platform to version >= 4 and introduced some minor bug fixes.
For the 2022.4.21 release of Mat3ra, we bring some quality-of-life improvements to the materials editor! Materials are now centered in the 3D view and there is now an interactive switch to add atom labels to the scene.
As part of the 2022.3.24 release of Mat3ra, we upgraded our web stack to React 16!
Our 2022.3.10 release brings an output file preview bug fix and addition of the DeePMD software executable to the Mat3ra platform!
Our 2022.2.23 release brings new versions of Quantum ESPRESSO (7.0) and Intel Stack to the Mat3ra platform!
Our 2022.2.10 release brings new versions of LAMMPS (7 Jan 2022) and GROMACS (2021.5) to the Mat3ra platform!
As part of the 2022.2.4 release, we are proud to announce our re-branding campaign from Exabyte.io to Mat3ra.com!
Implemented the non-periodic logic inside materials-designer, performance improvements and bug fixes.
Change modulefile naming convention to semantic version numbering. Update git-lfs to 2.10
Use google colab with API example notebooks
