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More documentation on the CMake buildup

Status: Open.

#304 In dftd4/dftd4;

· miroi opened on Jul 23, 2025

Large discontinuities in dispersion energy for slab systems with hexagonal lattice and large vacuum gap

bugSomething isn't workingSomething isn't working

periodicIssues related to the periodic D4Issues related to the periodic D4

Status: Open.

#285 In dftd4/dftd4;

· robertrueger opened on Mar 18, 2025

CMake < 3.18 fails to find LAPACK::LAPACK import target

buildBuild system related issues (platform, compilers)Build system related issues (platform, compilers)

Status: Open.

#273 In dftd4/dftd4;

· dcyang opened on Jan 6, 2025

Energy is changing depending on number of OMP_THREADS

bugSomething isn't workingSomething isn't working

PythonAffects the Python side of this projectAffects the Python side of this project

Status: Open.

#245 In dftd4/dftd4;

· zakmachachi opened on May 20, 2024

Spurious forces for PdAg system

bugSomething isn't workingSomething isn't working

periodicIssues related to the periodic D4Issues related to the periodic D4

Status: Open.

#224 In dftd4/dftd4;

· WeckmanTimo opened on Nov 10, 2023

Non-zero D4 interaction energy in dissociation limit

bugSomething isn't workingSomething isn't working

periodicIssues related to the periodic D4Issues related to the periodic D4

Status: Open.

#223 In dftd4/dftd4;

· hongzhouye opened on Nov 6, 2023

Use toml-f parser to read parameters.toml

enhancementNew feature or requestNew feature or request

Status: Open.

#178 In dftd4/dftd4;

· TyBalduf opened on Oct 14, 2022

Implement general getter for C-API

APIAffects the C-binding layer.Affects the C-binding layer.

enhancementNew feature or requestNew feature or request

Status: Open.

#167 In dftd4/dftd4;

· awvwgk opened on Jun 17, 2022

Provide bindings for C++

enhancementNew feature or requestNew feature or request

Status: Open.

#158 In dftd4/dftd4;

· awvwgk opened on May 4, 2022

Produce QCSchema compatible output if input is QCSchema JSON

enhancementNew feature or requestNew feature or request

Status: Open.

#144 In dftd4/dftd4;

· awvwgk opened on Jan 20, 2022

Allow construction of self-consistent dispersion

enhancementNew feature or requestNew feature or request

Status: Open.

#101 In dftd4/dftd4;

· awvwgk opened on May 11, 2021