deepmodeling abacus-develop Ideas Discussions
Ideas Discussions
Share ideas for new features
-
You must be logged in to vote -
You must be logged in to vote Request: R2SCAN+rvv10 or R2SCAN+D4 mGGA functional in ABACUS itself
Feature DiscussedThe features will be discussed first but will not be implemented soon -
You must be logged in to vote Feature: (embedded) Natural Resonance Theory (NRT) analysis for periodic system might be useful and attractive
Feature DiscussedThe features will be discussed first but will not be implemented soon -
You must be logged in to vote How to get absolute energy level of electronic states in ABACUS?
Feature DiscussedThe features will be discussed first but will not be implemented soon -
You must be logged in to vote -
You must be logged in to vote -
You must be logged in to vote -
You must be logged in to vote -
You must be logged in to vote -
You must be logged in to vote -
You must be logged in to vote -
You must be logged in to vote Chinese Documents Needed？ 需要中文文档和教程？
Feature DiscussedThe features will be discussed first but will not be implemented soon -
You must be logged in to vote -
You must be logged in to vote project Molecular Dynamics trajectory onto a set of phonons
Feature DiscussedThe features will be discussed first but will not be implemented soon -
You must be logged in to vote project time dependent wavefunction onto ground state wavefunction in TDDFT
Feature DiscussedThe features will be discussed first but will not be implemented soon -
You must be logged in to vote support nspin=2 in tddft simulation
Feature DiscussedThe features will be discussed first but will not be implemented soon -
You must be logged in to vote -
You must be logged in to vote Direct optimization methods
Feature DiscussedThe features will be discussed first but will not be implemented soon -
You must be logged in to vote -
You must be logged in to vote highlight code blocks in documentation
Feature DiscussedThe features will be discussed first but will not be implemented soon -
You must be logged in to vote Hessian matrix and phonon frequencies
Feature DiscussedThe features will be discussed first but will not be implemented soon -
You must be logged in to vote -
You must be logged in to vote Suggest ABACUS could output the version
Feature DiscussedThe features will be discussed first but will not be implemented soon -
You must be logged in to vote The autotests is not rich enough, we still can find out some error case not in them.
Feature DiscussedThe features will be discussed first but will not be implemented soon
