All issues

Search results

IndexError: list index out of range

Status: Open.

#94In Goodman-lab/DP5;

· TheRayman98 opened on May 28, 2025

Undefined symbol: dtrmm_

Status: Open.

#93In Goodman-lab/DP5;

· xiaoxiaow74 opened on Mar 20, 2025

Convergence in NWChem fails

Status: Open.

#92In Goodman-lab/DP5;

· vegas667 opened on Oct 8, 2024

SyntaxError: invalid syntax

Status: Open.

#89In Goodman-lab/DP5;

· jintianyun56 opened on Oct 6, 2023

some wrong during running DP5

Status: Open.

#87In Goodman-lab/DP5;

· 1lingxi1296 opened on Sep 4, 2023

Rescale_DP5 error

Status: Open.

#86In Goodman-lab/DP5;

· spectroscop opened on Sep 1, 2023

Can't Processing Proton Spectrum

Status: Open.

#85In Goodman-lab/DP5;

· AmonB opened on Aug 17, 2023

DP4 analysis using NMR descriptor file fails

Status: Open.

#79In Goodman-lab/DP5;

· PeteGierth opened on Jun 19, 2023

What does 'total_params' represent?

Status: Open.

#78In Goodman-lab/DP5;

· mertyrdkl opened on Mar 13, 2023

ValueError: negative dimensions are not allowed when processing proton

Status: Open.

#77In Goodman-lab/DP5;

· jproman opened on Feb 16, 2023

DFT calculations only with the minimum energy from the conformational search?

Status: Open.

#75In Goodman-lab/DP5;

· jproman opened on Dec 23, 2022

only carbon spectrum

Status: Open.

#73In Goodman-lab/DP5;

· jkyan007 opened on Oct 29, 2022