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[BUG] dpdata Fails to Convert QE Output to npy Files

bugSomething isn't workingSomething isn't working

Status: Open.

#901 In deepmodeling/dpdata;

· zzzruru opened on Sep 22, 2025

[BUG] multi dirs including with OUTCAR(single-point calc mode) can not be converted into deepmd_data together by dpdata

feature request

Status: Open.

#894 In deepmodeling/dpdata;

· WhiteCrosstheRiver opened on Sep 11, 2025

[BUG] additional information added when converting from abacus/stru to lammps

bugSomething isn't workingSomething isn't working

Status: Open.

#885 In deepmodeling/dpdata;

· OutisLi opened on Aug 30, 2025

[Feature Request] support schnetpack

enhancementNew feature or requestNew feature or request

Status: Open.

#877 In deepmodeling/dpdata;

· njzjz opened on Aug 29, 2025

[Feature Request] support FeNNol

enhancementNew feature or requestNew feature or request

Status: Open.

#876 In deepmodeling/dpdata;

· njzjz opened on Aug 29, 2025

[Feature Request] support non-orthogonal cells for amber/md

enhancementNew feature or requestNew feature or request

Status: Open.

#869 In deepmodeling/dpdata;

· njzjz opened on Aug 23, 2025

[BUG] dpdata's plugin cp2kdata cannot extract energy and force parameters from the output file of the cp2k.2025 version.

bugSomething isn't workingSomething isn't working

cp2k

Status: Open.

#850 In deepmodeling/dpdata;

· bihaodong opened on Jul 27, 2025

Not all frames can be extracted from the VASP OUTCAR file

enhancementNew feature or requestNew feature or request

vasp

Status: Open.

#828 In deepmodeling/dpdata;

· xwxwshi opened on May 27, 2025

[Feature Request] how can dpdata.MultiSystems deal with systems without label

deepmdDeePMD-kit formatDeePMD-kit format

enhancementNew feature or requestNew feature or request

Status: Open.

#817 In deepmodeling/dpdata;

· QuantumMisaka opened on Apr 25, 2025

VASP result export type map and poscar mismatch

bugSomething isn't workingSomething isn't working

vasp

Status: Open.

#778 In deepmodeling/dpdata;

· Cc-12342234 opened on Jan 13, 2025

[BUG] Unexpected element order from gro to lammps data file

lammps

Status: Open.

#740 In deepmodeling/dpdata;

· shadowater opened on Oct 21, 2024

[BUG] Abnormal Box Definition after Conversion from ABACUS stru File to LAMMPS lmp File

abacus

bugSomething isn't workingSomething isn't working

lammps

Status: Open.

#739 In deepmodeling/dpdata;

· YuanFeiyue20 opened on Oct 20, 2024