Tags: maurergroup/deltascf-aims
Tags
Merge pull request #146 from maurergroup/fix_incorrect_geometry_name - Fixed path not being given to create atoms object - Fixed not reading k_grid from previous calculations - Removed support for setting stack size on MacOS - Fixed incorrect projector file names - Fixed HPC flag not being respected by projector
Merge pull request #142 from maurergroup/1.1_fixes - Fixed bugs introduced in new logic for 1.1 - Fixed to work with core holes for atoms where multiple KS states have to be constrained per atom (e.g. 2p orbitals) - Minor type fixes and slight logic improvements - Fixed input file creation edge case