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exa-analytics
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exatomic
A unified platform for theoretical and computational chemists
https://exa-analytics.github.io/exatomic
Apache License 2.0
19
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12
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Master branch workflow
#235
tjduigna
closed
2 years ago
0
Issue 230
#234
avmarchenko
closed
2 years ago
0
feat: poc branch workflow
#233
tjduigna
closed
2 years ago
0
Fixes tests with pandas 1.3.4
#232
tjduigna
closed
2 years ago
1
CICD Config design
#231
tjduigna
opened
2 years ago
2
Exa migration design
#230
tjduigna
closed
2 years ago
1
Bump jquery-ui from 1.12.1 to 1.13.0 in /js
#229
dependabot[bot]
closed
2 years ago
0
Convert Molcas Orb to .47 File: "AttributeError: Please compute or set basis_set first"
#228
ghost
closed
2 years ago
2
Getting nan value in data
#227
Ranjitmanna
closed
2 years ago
4
Bump path-parse from 1.0.6 to 1.0.7 in /js
#226
dependabot[bot]
closed
2 years ago
0
Bump ws from 7.3.1 to 7.4.6 in /js
#225
dependabot[bot]
closed
2 years ago
0
Adding molecular orbitals example in docs failing
#224
herbertludowieg
closed
2 years ago
1
Bump hosted-git-info from 2.8.8 to 2.8.9 in /js
#223
dependabot[bot]
closed
3 years ago
0
Bump lodash from 4.17.19 to 4.17.21 in /js
#222
dependabot[bot]
closed
3 years ago
0
Bump underscore from 1.10.2 to 1.12.1 in /js
#221
dependabot[bot]
closed
3 years ago
0
Bump ssri from 6.0.1 to 6.0.2 in /js
#220
dependabot[bot]
closed
3 years ago
0
Bump y18n from 4.0.0 to 4.0.1 in /js
#219
dependabot[bot]
closed
3 years ago
0
Bump elliptic from 6.5.3 to 6.5.4 in /js
#218
dependabot[bot]
closed
3 years ago
0
Bump three from 0.118.3 to 0.125.0 in /js
#217
dependabot[bot]
closed
3 years ago
0
Gaussian Fchk parser does not read the right reduced masses
#216
herbertludowieg
closed
3 years ago
1
WIP: Feature/electron
#215
tjduigna
closed
1 year ago
1
Exatomic build failure
#214
avmarchenko
closed
2 years ago
3
Bump ini from 1.3.5 to 1.3.8 in /js
#213
dependabot[bot]
closed
3 years ago
0
WIP: Atom two frame
#212
herbertludowieg
closed
2 years ago
0
Add atomic index column to atom tables
#211
herbertludowieg
opened
3 years ago
0
Removing appveyor 32 bit build
#210
herbertludowieg
closed
3 years ago
0
Automated npm publish broken
#209
tjduigna
closed
2 years ago
1
Bump node-fetch from 2.6.0 to 2.6.1 in /js
#208
dependabot[bot]
closed
3 years ago
0
Adds package-lock.json
#207
tjduigna
closed
3 years ago
0
Failure to build JS on clean installation
#206
tjduigna
closed
3 years ago
0
Features to atom_two
#205
herbertludowieg
opened
3 years ago
1
exatomic doesn't support pandas 1.1
#204
adamphil
closed
2 years ago
10
Attempt 3 to automate npm publish
#203
tjduigna
closed
4 years ago
0
Return directory after npm publish
#202
tjduigna
closed
4 years ago
0
npm publish only on 3.8
#201
tjduigna
closed
4 years ago
0
Exhibition widget and a more sane repr for closed UniverseWidget
#200
tjduigna
closed
1 year ago
2
Bugfix for appthree shutdown, more eslint and updated banners
#199
tjduigna
closed
4 years ago
0
Remove testing.js, fix line endings in appthree.js and update widgets.js style
#198
tjduigna
closed
4 years ago
3
Automates npm publish
#197
tjduigna
closed
4 years ago
1
Fixes #195
#196
avmarchenko
closed
4 years ago
1
DataFrame.to_sparse() deprecated
#195
adamphil
closed
4 years ago
0
Automate releases
#194
avmarchenko
closed
4 years ago
0
Syntax update for js/src/base.js
#193
tjduigna
closed
4 years ago
1
JS Rewrite
#192
tjduigna
opened
4 years ago
0
publishes js
#191
tjduigna
closed
4 years ago
0
Automated publishing of master builds to pypi.org and anaconda.org and npmjs.com
#190
avmarchenko
closed
4 years ago
1
Numba ci win error
#189
avmarchenko
closed
4 years ago
0
Windows x86 and x64 build errors appveyor
#188
avmarchenko
closed
4 years ago
0
bug fix in molecules.py
#187
adamphil
closed
4 years ago
0
Cube output pr
#186
RulingF
closed
4 years ago
1
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