Issues

• deprecated DataFrame.ix in molecule.py (line 68)

  BugNeed more info
  exa-analytics/exatomic#283 · Filter by author adamphil opened on Feb 8, 2024
  2

• Failing build

  exa-analytics/exatomic#279 · Filter by author herbertludowieg opened on Mar 12, 2023
  1

• Find values in Gaussian FChk and ADF TAPE21

  exa-analytics/exatomic#278 · Filter by author herbertludowieg opened on Feb 2, 2023

• Failing widgets tests

  BugIn progress
  exa-analytics/exatomic#276 · Filter by author herbertludowieg opened on Jan 27, 2023
  

• Set up code security scanning

  exa-analytics/exatomic#264 · Filter by author avmarchenko opened on Sep 1, 2022

• Deprecation design

  In progress
  exa-analytics/exatomic#252 · Filter by author avmarchenko opened on Dec 7, 2021
  

• Address the dependabot alerts

  exa-analytics/exatomic#238 · Filter by author avmarchenko opened on Nov 6, 2021

• CICD Config design

  EnhancementIn progress
  exa-analytics/exatomic#231 · Filter by author tjduigna opened on Nov 2, 2021
  2

• Add atomic index column to atom tables

  Enhancement
  exa-analytics/exatomic#211 · Filter by author herbertludowieg opened on Nov 6, 2020

• Features to atom_two

  Enhancement
  exa-analytics/exatomic#205 · Filter by author herbertludowieg opened on Oct 26, 2020
  1

• JS Rewrite

  Visualizations
  exa-analytics/exatomic#192 · Filter by author tjduigna opened on Jul 5, 2020
  

• Generalized method for adding tensors to display

  EnhancementVisualizations
  exa-analytics/exatomic#158 · Filter by author herbertludowieg opened on May 29, 2019

• GUI throws ValueError

  BugVisualizations
  exa-analytics/exatomic#153 · Filter by author tjduigna opened on Apr 20, 2019
  2

• Implementation of the universal force field

  New feature
  exa-analytics/exatomic#149 · Filter by author avmarchenko opened on Mar 22, 2019
  2

• Orbital labeling on Universe Widget

  Enhancement
  exa-analytics/exatomic#143 · Filter by author herbertludowieg opened on Feb 26, 2019
  

• NWChem input

  EnhancementGenerators
  exa-analytics/exatomic#142 · Filter by author herbertludowieg opened on Feb 25, 2019

• Logging

  Easy
  exa-analytics/exatomic#139 · Filter by author avmarchenko opened on Feb 3, 2019
  1

• Different behavior for neighbors.periodic_nearest_neighbors_by_atom() and neighbors.periodic_nearest_neighbors_by_atom_large()

  Need more info
  exa-analytics/exatomic#133 · Filter by author adamphil opened on Dec 17, 2018
  2

• Centralized quantum-code input generator and output reader

  Needs design
  exa-analytics/exatomic#132 · Filter by author herbertludowieg opened on Dec 4, 2018
  1

• Compute molecule center of mass for periodic systems

  Enhancement
  exa-analytics/exatomic#121 · Filter by author avmarchenko opened on May 22, 2018

• Memory check for adding molecular orbitals

  Easy
  exa-analytics/exatomic#115 · Filter by author avmarchenko opened on May 3, 2018

• Unit cells are not fully supported

  EnhancementVisualizations
  exa-analytics/exatomic#114 · Filter by author avmarchenko opened on May 2, 2018

• Garbage collecting fields

  Bug
  exa-analytics/exatomic#111 · Filter by author tjduigna opened on Apr 27, 2018

• Robust electronic structure visualization

  Needs design
  exa-analytics/exatomic#95 · Filter by author tjduigna opened on Feb 14, 2018

• Support for system creation

  Enhancement
  exa-analytics/exatomic#48 · Filter by author avmarchenko opened on Apr 28, 2016