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Configuration AMCESS - ASE (Quantum Express, NWChem)

enhancementNew feature or requestNew feature or request

Status: Open.

#19 In e-florez/amcess;

· AndyDanian opened on May 27, 2024

Module Molecular Box

enhancementNew feature or requestNew feature or request

Status: Open.

#18 In e-florez/amcess;

· AndyDanian opened on May 27, 2024

sphinx issues

bugSomething isn't workingSomething isn't working

Status: Open.

#17 In e-florez/amcess;

· AndyDanian opened on May 9, 2024

Add format input in cluster class

enhancementNew feature or requestNew feature or request

Status: Open.

#16 In e-florez/amcess;

· AndyDanian opened on May 5, 2024

Conflicts fix (black, mypy, flake8): Atom, Molecule and Clustter class with rdkit

Status: Open.

#13 In e-florez/amcess;

· AndyDanian opened on Apr 13, 2024

tests: Atom, Molecule and Cluster class with rdkit

Status: Open.

#12 In e-florez/amcess;

· AndyDanian opened on Apr 13, 2024

amcess project structure

Status: Open.

#10 In e-florez/amcess;

· e-florez opened on Mar 29, 2024

Dependency Management With Python Poetry

Status: Open.

#9 In e-florez/amcess;

· e-florez opened on Mar 29, 2024

pyproject TOML

Status: Open.

#8 In e-florez/amcess;

· e-florez opened on Mar 29, 2024