Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / kul-group/MAZE-sim issues and pull requests

#143 - updated readme with note about python 3.9

Pull Request - State: closed - Opened by DexterAntonio about 3 years ago

#142 - Update adsorbate.py

Pull Request - State: closed - Opened by sjholton about 3 years ago

#141 - Fix adsorbate

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

#140 - updated docs to include from maze import Zeolite when needed

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

#139 - created changelog, updated readme, and updated test cases

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

#137 - added wrap_self, translate_self functions and apply function

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

#136 - added gif to readme

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

#135 - fixed minor typo

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

#134 - added note for when cif_download does not work

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

#133 - Revized capping function to support easier cap removal

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

#132 - Optimization Tutorial

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

#131 - Opt mapping

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

#130 - added deepcopy to add and delete atoms methods

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

#129 - Doc update3

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

#128 - Doc3

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

#127 - Docstring addition

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

#126 - updated readme

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

#121 - add doc strings to new methods in Zeolite

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

#120 - change attribute parent_zeotype to parent_zeolite

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

#118 - Better io

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

#117 - oxygen atoms dict contains duplicate atoms

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

#116 - update readme

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

#115 - Doc update

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

#114 - Cluster fix

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

#113 - currently add atoms does not map back to main index

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

#112 - added adsorbate.rst

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

#111 - modified extra framework

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

#110 - Fix __delete__ method overloading

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

#108 - ensured proper mapping between all indices and sites

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

#107 - Quick refactor

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

#106 - Fix delete method

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

#104 - add an apply method that takes any lambda function

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

#103 - Test case iz

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

#102 - Update extra_framework.py

Pull Request - State: closed - Opened by JiaweiGuo-0313 over 3 years ago

#101 - init method for IZ does not create parent IZ

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

#100 - added more docstring to database class

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

#99 - replace not implemented error with a warning.

Issue - State: closed - Opened by DexterAntonio over 3 years ago - 1 comment
Labels: enhancement

#98 - Database

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

#97 - Update adsorbate

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

#96 - Fix position choice

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

#95 - added extra_framework file with extraframework classes

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

#94 - Ase tests

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

#93 - updated docs

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

#92 - More test cases

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

#91 - Added test case for IndexMapper

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

#90 - Random seed

Pull Request - State: closed - Opened by sjholton almost 4 years ago

#89 - Saving zeotype

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#88 - serialization

Issue - State: closed - Opened by DexterAntonio almost 4 years ago

#85 - added test cases

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#84 - deleted duplicate folder and files and added cluster indices

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#83 - Readme update

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#82 - Docs only

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#81 - made small change

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#80 - Sh maze doc edits

Pull Request - State: closed - Opened by sjholton almost 4 years ago - 1 comment

#79 - Doc update

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#78 - added in images for demo

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#77 - fixed cif-read for version of ase >= 3.21.0

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#76 - updated readme

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#75 - Merge fix

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#74 - changed docs some more

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#73 - added new name

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#72 - Demo docs 2

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#71 - Middle o remove

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#70 - add add_atoms and delete_atoms method to zeotype class

Issue - State: closed - Opened by DexterAntonio almost 4 years ago

#69 - Doc update

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#68 - Fix copy method for Zeotype and subclasses

Issue - State: closed - Opened by DexterAntonio almost 4 years ago

#67 - File move and ads addition

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#66 - added import statements to zeotype

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#65 - updated docs

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#64 - Index tracking and fp

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#63 - Add index mapper support

Issue - State: closed - Opened by DexterAntonio almost 4 years ago

#62 - Add deletion support

Issue - State: closed - Opened by DexterAntonio almost 4 years ago

#61 - Extract Si--0--Si properly

Issue - State: closed - Opened by DexterAntonio almost 4 years ago

#60 - Decouple atom identification from cluster assignment.

Issue - State: closed - Opened by DexterAntonio almost 4 years ago

#59 - Create an open defect class

Issue - State: closed - Opened by DexterAntonio almost 4 years ago

#58 - Make add cluster return open defect class as well

Issue - State: closed - Opened by DexterAntonio almost 4 years ago

#57 - added a better readme

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#55 - added get hetero atoms method to zeotype class

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#54 - added a background file and added more to the intro page

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#53 - Si nests

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#52 - added new capping method

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#51 - Sam

Pull Request - State: closed - Opened by DexterAntonio almost 4 years ago

#50 - Jupyter

Pull Request - State: closed - Opened by DexterAntonio about 4 years ago

#49 - Dihedral opt

Pull Request - State: closed - Opened by sjholton about 4 years ago

#45 - add delete method for cluster

Issue - State: closed - Opened by DexterAntonio about 4 years ago

#44 - add delete method for adsorbate

Issue - State: closed - Opened by DexterAntonio about 4 years ago

#26 - Zeotype(zeotype) does not copy over all zeotype attributes

Issue - State: closed - Opened by DexterAntonio about 4 years ago

#4 - add method signatures and attributes to pores class

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

#3 - add method signatures and attributes to cluster class

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