exa-analytics/exatomic issues and pull requests

#289 - chore(deps): bump braces, webpack and webpack-cli in /js

Pull Request - State: closed - Opened by dependabot[bot] 4 months ago
Labels: dependencies

#288 - chore(deps-dev): bump browserify-sign from 4.2.0 to 4.2.3 in /js

Pull Request - State: closed - Opened by dependabot[bot] 4 months ago - 1 comment
Labels: dependencies

#287 - chore(deps-dev): bump elliptic from 6.5.4 to 6.5.7 in /js

Pull Request - State: closed - Opened by dependabot[bot] 4 months ago - 1 comment
Labels: dependencies

#286 - chore(deps): bump ws from 7.5.9 to 7.5.10 in /js

Pull Request - State: open - Opened by dependabot[bot] 4 months ago
Labels: dependencies

#285 - Bug with pandas pivot fixed

Pull Request - State: closed - Opened by azaichen 7 months ago

#285 - Bug with pandas pivot fixed

Pull Request - State: closed - Opened by azaichen 7 months ago

#284 - Molcas outputs reading bug fixed

Pull Request - State: closed - Opened by azaichen 10 months ago

#284 - Molcas outputs reading bug fixed

Pull Request - State: closed - Opened by azaichen 10 months ago

#283 - deprecated DataFrame.ix in molecule.py (line 68)

Issue - State: open - Opened by adamphil about 1 year ago - 2 comments
Labels: Bug, Need more info

#282 - chore(deps-dev): bump @babel/traverse from 7.10.4 to 7.23.2 in /js

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#281 - chore(deps-dev): bump word-wrap from 1.2.3 to 1.2.4 in /js

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#280 - Fixing build issues with version lock

Pull Request - State: closed - Opened by herbertludowieg almost 2 years ago

#279 - Failing build

Issue - State: open - Opened by herbertludowieg almost 2 years ago - 1 comment

#278 - Find values in Gaussian FChk and ADF TAPE21

Issue - State: open - Opened by herbertludowieg about 2 years ago

#277 - Failing BasisSet tests

Issue - State: closed - Opened by herbertludowieg about 2 years ago - 1 comment

#276 - Failing widgets tests

Issue - State: open - Opened by herbertludowieg about 2 years ago
Labels: Bug, In progress

#275 - Some changes for codacy

Pull Request - State: closed - Opened by herbertludowieg about 2 years ago - 1 comment

#274 - chore(deps): bump json5 from 1.0.1 to 1.0.2 in /js

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago
Labels: dependencies

#273 - Remove VA module completely

Pull Request - State: closed - Opened by herbertludowieg about 2 years ago

#272 - chore(deps): bump json5, tsconfig-paths, webpack and webpack-cli in /js

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 1 comment
Labels: dependencies

#271 - chore(deps): bump decode-uri-component from 0.2.0 to 0.2.2 in /js

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago
Labels: dependencies

#270 - chore(deps): bump loader-utils from 1.4.0 to 1.4.2 in /js

Pull Request - State: closed - Opened by dependabot[bot] about 2 years ago - 1 comment
Labels: dependencies

#269 - Increase output parsing

Pull Request - State: closed - Opened by herbertludowieg over 2 years ago - 1 comment

#268 - chore(deps): bump minimatch from 3.0.4 to 3.1.2 in /js

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago
Labels: dependencies

#267 - chore(deps): bump url-parse, @jupyter-widgets/base and @jupyter-widgets/controls in /js

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago
Labels: dependencies

#266 - chore(deps): bump glob-parent from 5.1.1 to 5.1.2 in /js

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago
Labels: dependencies

#265 - General parser adf

Pull Request - State: closed - Opened by herbertludowieg over 2 years ago - 2 comments

#264 - Set up code security scanning

Issue - State: open - Opened by avmarchenko over 2 years ago

#263 - chore(deps): bump moment from 2.29.2 to 2.29.4 in /js

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago
Labels: dependencies

#262 - General parser adf

Pull Request - State: closed - Opened by herbertludowieg over 2 years ago - 1 comment

#261 - ADF parsers for new version

Issue - State: closed - Opened by herbertludowieg over 2 years ago

#260 - chore(deps): bump terser from 4.8.0 to 4.8.1 in /js

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago
Labels: dependencies

#259 - chore(deps): bump jquery-ui from 1.13.0 to 1.13.2 in /js

Pull Request - State: closed - Opened by dependabot[bot] over 2 years ago
Labels: dependencies

#258 - Add unit conversions

Pull Request - State: closed - Opened by herbertludowieg almost 3 years ago - 3 comments

#257 - chore(deps): bump moment from 2.27.0 to 2.29.2 in /js

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago
Labels: dependencies

#256 - chore(deps): bump ansi-regex from 4.1.0 to 4.1.1 in /js

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago
Labels: dependencies

#255 - chore(deps): bump minimist from 1.2.5 to 1.2.6 in /js

Pull Request - State: closed - Opened by dependabot[bot] almost 3 years ago
Labels: dependencies

#254 - chore(deps): bump node-fetch from 2.6.1 to 2.6.7 in /js

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago
Labels: dependencies

#253 - chore(deps): bump three from 0.125.0 to 0.137.0 in /js

Pull Request - State: closed - Opened by dependabot[bot] about 3 years ago
Labels: dependencies

#252 - Deprecation design

Issue - State: open - Opened by avmarchenko about 3 years ago
Labels: In progress

#251 - feat: clean run

Pull Request - State: closed - Opened by tjduigna over 3 years ago

#250 - fix: var name

Pull Request - State: closed - Opened by tjduigna over 3 years ago

#249 - fix: static exa assets

Pull Request - State: closed - Opened by tjduigna over 3 years ago

#248 - fix: conda pls

Pull Request - State: closed - Opened by tjduigna over 3 years ago

#247 - fix: install the pkg

Pull Request - State: closed - Opened by tjduigna over 3 years ago

#246 - fix: conda pls

Pull Request - State: closed - Opened by tjduigna over 3 years ago

#245 - feat: remove cicd script

Pull Request - State: closed - Opened by tjduigna over 3 years ago - 1 comment

#244 - fix: all dependencies for conda publish

Pull Request - State: closed - Opened by tjduigna over 3 years ago

#243 - fix: conda pls

Pull Request - State: closed - Opened by tjduigna over 3 years ago

#242 - fix: store artifact between release and conda

Pull Request - State: closed - Opened by tjduigna over 3 years ago

#241 - fix: publish to conda

Pull Request - State: closed - Opened by tjduigna over 3 years ago

#240 - fix: pypi config

Pull Request - State: closed - Opened by tjduigna over 3 years ago

#239 - fix: pandoc and shell

Pull Request - State: closed - Opened by tjduigna over 3 years ago

#238 - Address the dependabot alerts

Issue - State: open - Opened by avmarchenko over 3 years ago

#237 - Add master workflow

Pull Request - State: closed - Opened by tjduigna over 3 years ago

#236 - Issue 230 imports

Pull Request - State: closed - Opened by avmarchenko over 3 years ago - 1 comment

#235 - Master branch workflow

Issue - State: closed - Opened by tjduigna over 3 years ago

#234 - Issue 230

Pull Request - State: closed - Opened by avmarchenko over 3 years ago

#233 - feat: poc branch workflow

Pull Request - State: closed - Opened by tjduigna over 3 years ago

#232 - Fixes tests with pandas 1.3.4

Pull Request - State: closed - Opened by tjduigna over 3 years ago - 1 comment

#231 - CICD Config design

Issue - State: open - Opened by tjduigna over 3 years ago - 2 comments
Labels: Enhancement, In progress

#230 - Exa migration design

Issue - State: closed - Opened by tjduigna over 3 years ago - 1 comment
Labels: Enhancement

#229 - Bump jquery-ui from 1.12.1 to 1.13.0 in /js

Pull Request - State: closed - Opened by dependabot[bot] over 3 years ago

#228 - Convert Molcas Orb to .47 File: "AttributeError: Please compute or set basis_set first"

Issue - State: closed - Opened by ghost over 3 years ago - 2 comments

#227 - Getting nan value in data

Issue - State: closed - Opened by Ranjitmanna over 3 years ago - 4 comments

#226 - Bump path-parse from 1.0.6 to 1.0.7 in /js

Pull Request - State: closed - Opened by dependabot[bot] over 3 years ago

#225 - Bump ws from 7.3.1 to 7.4.6 in /js

Pull Request - State: closed - Opened by dependabot[bot] over 3 years ago

#224 - Adding molecular orbitals example in docs failing

Issue - State: closed - Opened by herbertludowieg over 3 years ago - 1 comment

#223 - Bump hosted-git-info from 2.8.8 to 2.8.9 in /js

Pull Request - State: closed - Opened by dependabot[bot] almost 4 years ago

#222 - Bump lodash from 4.17.19 to 4.17.21 in /js

Pull Request - State: closed - Opened by dependabot[bot] almost 4 years ago

#221 - Bump underscore from 1.10.2 to 1.12.1 in /js

Pull Request - State: closed - Opened by dependabot[bot] almost 4 years ago

#220 - Bump ssri from 6.0.1 to 6.0.2 in /js

Pull Request - State: closed - Opened by dependabot[bot] almost 4 years ago

#219 - Bump y18n from 4.0.0 to 4.0.1 in /js

Pull Request - State: closed - Opened by dependabot[bot] almost 4 years ago

#218 - Bump elliptic from 6.5.3 to 6.5.4 in /js

Pull Request - State: closed - Opened by dependabot[bot] almost 4 years ago

#217 - Bump three from 0.118.3 to 0.125.0 in /js

Pull Request - State: closed - Opened by dependabot[bot] almost 4 years ago

#216 - Gaussian Fchk parser does not read the right reduced masses

Issue - State: closed - Opened by herbertludowieg about 4 years ago - 1 comment

#215 - WIP: Feature/electron

Pull Request - State: closed - Opened by tjduigna about 4 years ago - 1 comment
Labels: Visualizations

#214 - Exatomic build failure

Issue - State: closed - Opened by avmarchenko about 4 years ago - 3 comments

#213 - Bump ini from 1.3.5 to 1.3.8 in /js

Pull Request - State: closed - Opened by dependabot[bot] about 4 years ago

#212 - WIP: Atom two frame

Pull Request - State: closed - Opened by herbertludowieg over 4 years ago

#211 - Add atomic index column to atom tables

Issue - State: open - Opened by herbertludowieg over 4 years ago
Labels: Enhancement

#210 - Removing appveyor 32 bit build

Pull Request - State: closed - Opened by herbertludowieg over 4 years ago

#209 - Automated npm publish broken

Issue - State: closed - Opened by tjduigna over 4 years ago - 1 comment

#208 - Bump node-fetch from 2.6.0 to 2.6.1 in /js

Pull Request - State: closed - Opened by dependabot[bot] over 4 years ago

#207 - Adds package-lock.json

Pull Request - State: closed - Opened by tjduigna over 4 years ago

#206 - Failure to build JS on clean installation

Issue - State: closed - Opened by tjduigna over 4 years ago

#205 - Features to atom_two

Issue - State: open - Opened by herbertludowieg over 4 years ago - 1 comment
Labels: Enhancement

#204 - exatomic doesn't support pandas 1.1

Issue - State: closed - Opened by adamphil over 4 years ago - 10 comments
Labels: Bug

#203 - Attempt 3 to automate npm publish

Pull Request - State: closed - Opened by tjduigna over 4 years ago

#202 - Return directory after npm publish

Pull Request - State: closed - Opened by tjduigna over 4 years ago

#200 - Exhibition widget and a more sane repr for closed UniverseWidget

Pull Request - State: closed - Opened by tjduigna over 4 years ago - 2 comments
Labels: Visualizations

#192 - JS Rewrite

Issue - State: open - Opened by tjduigna over 4 years ago
Labels: Visualizations

#185 - ADF Tape21 parser

Issue - State: closed - Opened by herbertludowieg over 4 years ago - 1 comment
Labels: Parsers

#184 - Frequency visualization

Pull Request - State: closed - Opened by herbertludowieg over 4 years ago - 4 comments
Labels: Visualizations

#181 - Frequency visualization

Issue - State: closed - Opened by herbertludowieg almost 5 years ago - 1 comment
Labels: Visualizations, New feature

#161 - Adding tests for codes

Issue - State: closed - Opened by herbertludowieg over 5 years ago - 1 comment

#158 - Generalized method for adding tensors to display

Issue - State: open - Opened by herbertludowieg over 5 years ago
Labels: Enhancement, Visualizations

#153 - GUI throws ValueError

Issue - State: open - Opened by tjduigna almost 6 years ago - 2 comments
Labels: Bug, Visualizations

#152 - WIP: Updates js deps and removes vulnerability warning

Pull Request - State: closed - Opened by tjduigna almost 6 years ago - 5 comments
Labels: Visualizations

#149 - Implementation of the universal force field

Issue - State: open - Opened by avmarchenko almost 6 years ago - 2 comments
Labels: New feature

GitHub / exa-analytics/exatomic issues and pull requests