Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Nexus: interface for RMG code #2932

Merged
merged 24 commits into from
Feb 18, 2021
Merged

Nexus: interface for RMG code #2932

merged 24 commits into from
Feb 18, 2021

Commits on Sep 15, 2020

  1. nexus: add rmg input read/write

    @jtkrogel
    jtkrogel committed Sep 15, 2020
    Configuration menu
    Copy the full SHA
    4fa1435 View commit details
    Browse the repository at this point in the history

Commits on Sep 16, 2020

  1. nexus: add validity checks of rmg input

    @jtkrogel
    jtkrogel committed Sep 16, 2020
    Configuration menu
    Copy the full SHA
    dae9322 View commit details
    Browse the repository at this point in the history

  2. nexus: add checks for formatted keywords

    @jtkrogel
    jtkrogel committed Sep 16, 2020
    Configuration menu
    Copy the full SHA
    2f33311 View commit details
    Browse the repository at this point in the history

Commits on Sep 17, 2020

  1. nexus: small change

    @jtkrogel
    jtkrogel committed Sep 17, 2020
    Configuration menu
    Copy the full SHA
    cf573a1 View commit details
    Browse the repository at this point in the history

  2. Merge branch 'nx_momentum_distribution' of https://github.com/jtkroge… 

    …l/qmcpack into nx_rmg
    @jtkrogel
    jtkrogel committed Sep 17, 2020
    Configuration menu
    Copy the full SHA
    b32baac View commit details
    Browse the repository at this point in the history

Commits on Oct 5, 2020

  1. nexus: add tests for rmg input

    @jtkrogel
    jtkrogel committed Oct 5, 2020
    Configuration menu
    Copy the full SHA
    e526c07 View commit details
    Browse the repository at this point in the history

Commits on Oct 6, 2020

  1. nexus: start rmg input generate

    @jtkrogel
    jtkrogel committed Oct 6, 2020
    Configuration menu
    Copy the full SHA
    dcf93c9 View commit details
    Browse the repository at this point in the history

Commits on Oct 8, 2020

  1. nexus: fix use of mag

    @jtkrogel
    jtkrogel committed Oct 8, 2020
    Configuration menu
    Copy the full SHA
    8b88db7 View commit details
    Browse the repository at this point in the history

  2. nexus: clean up magnetic handling

    @jtkrogel
    jtkrogel committed Oct 8, 2020
    Configuration menu
    Copy the full SHA
    91997a1 View commit details
    Browse the repository at this point in the history

  3. nexus: add more structure consistency checks

    @jtkrogel
    jtkrogel committed Oct 8, 2020
    Configuration menu
    Copy the full SHA
    df61d9c View commit details
    Browse the repository at this point in the history

Commits on Oct 9, 2020

  1. nexus: finish first rmg input tests

    @jtkrogel
    jtkrogel committed Oct 9, 2020
    Configuration menu
    Copy the full SHA
    dcfcf05 View commit details
    Browse the repository at this point in the history

  2. nexus: move hubbard u to formatted

    @jtkrogel
    jtkrogel committed Oct 9, 2020
    Configuration menu
    Copy the full SHA
    6bb1f15 View commit details
    Browse the repository at this point in the history

Commits on Nov 6, 2020

  1. nexus: finish rmg_transform, add tests

    @jtkrogel
    jtkrogel committed Nov 6, 2020
    Configuration menu
    Copy the full SHA
    9ea91c2 View commit details
    Browse the repository at this point in the history

Commits on Jan 12, 2021

  1. nexus: add rmg simulation class

    @jtkrogel
    jtkrogel committed Jan 12, 2021
    Configuration menu
    Copy the full SHA
    fd9b5a7 View commit details
    Browse the repository at this point in the history

Commits on Jan 21, 2021

  1. nexus: fix rmg input path

    @jtkrogel
    jtkrogel committed Jan 21, 2021
    Configuration menu
    Copy the full SHA
    7bb7223 View commit details
    Browse the repository at this point in the history

Commits on Jan 22, 2021

  1. nexus: expand rmg analyzer

    @jtkrogel
    jtkrogel committed Jan 22, 2021
    Configuration menu
    Copy the full SHA
    9515bee View commit details
    Browse the repository at this point in the history

Commits on Jan 28, 2021

  1. nexus: support crystal structure extraction from rmg input

    @jtkrogel
    jtkrogel committed Jan 28, 2021
    Configuration menu
    Copy the full SHA
    bbda2a1 View commit details
    Browse the repository at this point in the history

Commits on Feb 12, 2021

  1. nexus: better support rmg

    @jtkrogel
    jtkrogel committed Feb 12, 2021
    Configuration menu
    Copy the full SHA
    08d06bd View commit details
    Browse the repository at this point in the history

  2. nexus: add rmg kpoints

    @jtkrogel
    jtkrogel committed Feb 12, 2021
    Configuration menu
    Copy the full SHA
    8bde768 View commit details
    Browse the repository at this point in the history

Commits on Feb 17, 2021

  1. nexus: fix rmg kpoints input

    Jaron T. Krogel committed Feb 17, 2021
    Configuration menu
    Copy the full SHA
    fdc62e7 View commit details
    Browse the repository at this point in the history

  2. nexus: add rmg unit tests

    @jtkrogel
    jtkrogel committed Feb 17, 2021
    Configuration menu
    Copy the full SHA
    3ab8d65 View commit details
    Browse the repository at this point in the history

  3. nexus: add rmg example

    @jtkrogel
    jtkrogel committed Feb 17, 2021
    Configuration menu
    Copy the full SHA
    9e085c3 View commit details
    Browse the repository at this point in the history

  4. nexus: fix reference energy

    @jtkrogel
    jtkrogel committed Feb 17, 2021
    Configuration menu
    Copy the full SHA
    360b629 View commit details
    Browse the repository at this point in the history

Commits on Feb 18, 2021

  1. Merge branch 'develop' into nx_rmg

    @ye-luo
    ye-luo authored Feb 18, 2021
    Configuration menu
    Copy the full SHA
    116eb90 View commit details
    Browse the repository at this point in the history