Search results

📚 Daily Automated arXiv Updates for AI4Chem Papers

Status: Open.

#94 In robinzyb/cp2kdata;

· YuzeHao2023 opened on Jan 18, 2026

The cp2k-2025.1 version cannot extract energy and force.

Status: Open.

#93 In robinzyb/cp2kdata;

· JQ-JQQ opened on Jan 7, 2026

Dpgen+Cp2Kdata error

Status: Open.

#91 In robinzyb/cp2kdata;

· diaojiaz opened on Nov 29, 2025

I can't install cp2kdata using pip or from source

Status: Open.

#90 In robinzyb/cp2kdata;

· diaojiaz opened on Jul 9, 2025

Tha stress data script

Status: Open.

#89 In robinzyb/cp2kdata;

· Wangmumu0403 opened on Jul 4, 2025

A bug when output file is missing in parsing md type simulation

Bug-FixPR label for releasePR label for release

Status: Open.

#87 In robinzyb/cp2kdata;

· robinzyb opened on Dec 21, 2024

Suggestions for logging behavior

Status: Open.

#76 In robinzyb/cp2kdata;

· scott-5 opened on Sep 23, 2024

Handle single MD trajectory from multiple job submission

EnhancementNew feature or requestNew feature or request

Status: Open.

#75 In robinzyb/cp2kdata;

· robinzyb opened on Sep 14, 2024

Cell Matrices alignment when converting cell lengths and angles to cell matrices

bugSomething isn't workingSomething isn't working

Status: Open.

#34 In robinzyb/cp2kdata;

· robinzyb opened on Dec 26, 2023