Search results

Feature Request: Check if Path is Minimum

Status: Open.

#31 In pyneb/pyneb;

· dlay97 opened on Dec 1, 2023

Feature Request: auto-trimming of NEB logs

Status: Open.

#30 In pyneb/pyneb;

· dlay97 opened on Oct 3, 2023

Inertia gradient fails for constant, non-identity inertia

Status: Open.

#29 In pyneb/pyneb;

· dlay97 opened on Feb 20, 2023

Improve positive semi-definite interpolator

Status: Open.

#28 In pyneb/pyneb;

· eflynn67 opened on Feb 1, 2023

Feature request: pull path back along outer turning line

Status: Open.

#25 In pyneb/pyneb;

· dlay97 opened on Jul 15, 2022

Feature request: handle non-rectangular PESs

Status: Open.

#24 In pyneb/pyneb;

· dlay97 opened on Jul 15, 2022

Feature request: automatic restart for NEB

Status: Open.

#20 In pyneb/pyneb;

· dlay97 opened on Feb 22, 2022

Feature request: write final path(s) to a text file

Status: Open.

#19 In pyneb/pyneb;

· dlay97 opened on Jan 6, 2022