Search results

Add exceptions for Madelung Rule for certain elements

Status: Open.

Bug

#149 In maurergroup/deltascf-aims;

· dylanbmorgan opened on Dec 22, 2025

PBCs not being parsed from control.in

bugSomething isn't workingSomething isn't working

Status: Open.

#144 In maurergroup/deltascf-aims;

· dylanbmorgan opened on Aug 7, 2025

Binary required with hpc

bugSomething isn't workingSomething isn't working

Status: Open.

#143 In maurergroup/deltascf-aims;

· dylanbmorgan opened on Aug 7, 2025

Print better error messages for mutually exclusive/inclusive options

enhancementNew feature or requestNew feature or request

Status: Open.

#86 In maurergroup/deltascf-aims;

· dylanbmorgan opened on Oct 14, 2024

New control options printing at end of file for hole calculations with basis

bugSomething isn't workingSomething isn't working

Status: Open.

#31 In maurergroup/deltascf-aims;

· dylanbmorgan opened on Jul 6, 2023

'-h/--hpc' not working with basis hole

bugSomething isn't workingSomething isn't working

Status: Open.

#30 In maurergroup/deltascf-aims;

· dylanbmorgan opened on Jul 6, 2023

Multiple constr atoms

enhancementNew feature or requestNew feature or request

Status: Open.

#24 In maurergroup/deltascf-aims;

· dylanbmorgan opened on May 2, 2023

Create core-hole basis sets for more atoms

enhancementNew feature or requestNew feature or request

Status: Open.

#22 In maurergroup/deltascf-aims;

· dylanbmorgan opened on Apr 28, 2023

Upgrade to full application

enhancementNew feature or requestNew feature or request

Status: Open.

#1 In maurergroup/deltascf-aims;

· dylanbmorgan opened on Dec 20, 2022