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Compiling error using python 3.13

Status: Open.

#40 In shankar1729/qimpy;

· JuntingYu1996 opened on Dec 17, 2024

Throw exceptions when grid zones are too few

Status: Open.

#33 In shankar1729/qimpy;

· mchandra opened on May 17, 2024

Lattice minimization support to reset the basis to adjust G-sphere

Status: Open.

#30 In shankar1729/qimpy;

· fadelm opened on Aug 9, 2023

Visualization tools/interfaces

good first issueGood for newcomersGood for newcomers

Status: Open.

#29 In shankar1729/qimpy;

· shankar1729 opened on Mar 23, 2023

Symmetrization of atomic density matrices

Status: Open.

#28 In shankar1729/qimpy;

· shankar1729 opened on Feb 16, 2023

pymatgen interface

Status: Open.

#27 In shankar1729/qimpy;

· joshquinton opened on Feb 16, 2023

Fixed atoms, lattice directions and constraints in relax/dynamics

Status: Open.

#25 In shankar1729/qimpy;

· shankar1729 opened on Jan 31, 2023

Implement Coulomb truncation (non-periodic support)

Status: Open.

#24 In shankar1729/qimpy;

· shankar1729 opened on Jan 29, 2023

Implement vdW non-local electronic functionals

Status: Open.

#23 In shankar1729/qimpy;

· shankar1729 opened on Jan 29, 2023

Implement vdW correction functionals

Status: Open.

#22 In shankar1729/qimpy;

· shankar1729 opened on Jan 29, 2023

Implement DFT+U support

Status: Open.

#21 In shankar1729/qimpy;

· shankar1729 opened on Jan 29, 2023

Implement meta-GGA support

Status: Open.

#20 In shankar1729/qimpy;

· shankar1729 opened on Jan 29, 2023