Release 2022.3.22

Overview

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.

In more details:

Features

• Enable non-uniformity in all three reciprocal cell dimensions for k-point density
• Rewrite k-point convergence workflows to work with non-uniform k-point density
• Notify multiple emails/users within an organization about job status updates
• Save search queries for both Quick Search and Advanced Search
• Save search query per each table when navigating away from a page

Improvements

• Optimize registration to speed it up
• Optimize Explorer tables to speed up their functionality

Bugfixes

• Fix SSH key status indicator LED
• Update project status on job timeout
• Autofail jobs stuck in the submitted state in the web interface

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New: non-uniform k-grids

We highlight the added non-uniformity in all reciprocal cell dimensions for k-point density. We implement three ways to set k-point grids: (1) using KPPRA (k-points per reciprocal atom), (2) using k-point spacing, and (3) free-hand. For the former two, the relative dimensions of the reciprocal cell will be automatically applied then calculating the grid size. In the video we use below, the sampling is reduced significantly in the z-direction for a layered material.

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New: saved search queries

We highlight the ability to save search queries used for the Entities (Materials, Jobs, Workflows, etc.) in the Explorer tables. We implement three ways to persist the search item: (1) using quick search autocomplete menu where the last 10 most recent searches are stored per each account - similar to how search engines (e.g. Google) do it, (2) using advanced search and named queries - where we store complex advanced search queries under specific names, and (3) saving local sessions per each table while navigating to/away from the page. In the video below, we demonstrate the functionality.

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Try online at https://platform.mat3ra.com/

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