Ecosyste.ms: Issues

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

GitHub / VlachosGroup/pMuTT issues and pull requests

#271 - Fix reaction list grouping in thermo.yaml BEP section

Pull Request - State: closed - Opened by wittregr 6 months ago

#270 - Fix for reaction grouping in thermo.yaml BEP's

Pull Request - State: closed - Opened by wittregr 6 months ago

#268 - Question

Issue - State: closed - Opened by Sorin-Jayaweera 6 months ago - 1 comment

#267 - v1.4.14

Pull Request - State: closed - Opened by wittregr 8 months ago

#266 - Fix to unittest equilibrium warnings and v1.4.14

Pull Request - State: closed - Opened by wittregr 8 months ago

#258 - Update for v 1.4.10

Pull Request - State: closed - Opened by wittregr 8 months ago

#257 - Fix NASA9 polynomial fit

Pull Request - State: closed - Opened by wittregr 8 months ago

#256 - Resolve equilibrium unittest issue

Pull Request - State: closed - Opened by wittregr 11 months ago

#255 - Equilibrium method unit test does not run

Issue - State: closed - Opened by wittregr 11 months ago
Labels: bug, dev branch

#254 - True-up Dev with Master

Pull Request - State: closed - Opened by wittregr 12 months ago

#253 - Final fixes for deprecated numpy function and upgrade to v1.4.9

Pull Request - State: closed - Opened by wittregr 12 months ago

#251 - Additional numpy deprecated function fixes and upgrade to v1.4.9

Pull Request - State: closed - Opened by wittregr 12 months ago

#250 - Additional numpy deprecated function fixes

Pull Request - State: closed - Opened by wittregr 12 months ago

#249 - Update to v 1.4.8

Pull Request - State: closed - Opened by wittregr 12 months ago

#248 - Update to v 1.4.8

Pull Request - State: closed - Opened by wittregr 12 months ago

#247 - Fix deprecated numpy function

Pull Request - State: closed - Opened by wittregr 12 months ago

#246 - Fix deprecated numpy function

Pull Request - State: closed - Opened by wittregr 12 months ago

#244 - v1.4.7

Pull Request - State: closed - Opened by wittregr about 1 year ago

#243 - Update to v1.4.7

Pull Request - State: closed - Opened by wittregr about 1 year ago

#242 - Fix ID issue in write_CTI

Pull Request - State: closed - Opened by wittregr about 1 year ago

#241 - Fix improperly written rxn and interaction id's

Pull Request - State: closed - Opened by wittregr about 1 year ago

#240 - Development

Pull Request - State: closed - Opened by wittregr about 1 year ago

#239 - Update docs

Pull Request - State: closed - Opened by wittregr about 1 year ago

#238 - Development

Pull Request - State: closed - Opened by wittregr about 1 year ago

#237 - Merge pull request #10 from VlachosGroup/development

Pull Request - State: closed - Opened by wittregr about 1 year ago

#236 - Development

Pull Request - State: closed - Opened by wittregr about 1 year ago

#235 - Missing dependency

Pull Request - State: closed - Opened by wittregr about 1 year ago

#234 - v1.4.5

Pull Request - State: closed - Opened by wittregr over 1 year ago

#233 - v1.4.5

Pull Request - State: closed - Opened by wittregr over 1 year ago

#232 - Pandas DataFrame .iteritems() is deprecated. Use .items() instead

Issue - State: closed - Opened by wittregr over 1 year ago
Labels: bug, dev branch

#231 - Does pMuTT support MESA?

Issue - State: closed - Opened by arosen93 over 1 year ago - 2 comments
Labels: enhancement

#230 - Merge pull request #229 from VlachosGroup/master

Pull Request - State: closed - Opened by wittregr over 1 year ago

#229 - Sync Dev to Master

Pull Request - State: closed - Opened by wittregr over 1 year ago

#228 - Promote development to create v1.4.4

Pull Request - State: closed - Opened by wittregr over 1 year ago

#227 - HoRT and SoR fitting issue

Pull Request - State: closed - Opened by wittregr over 1 year ago

#225 - omkm i/o Example failed due to the incorrect title in the xlsx file.

Issue - State: closed - Opened by lqcata over 1 year ago - 1 comment
Labels: bug

#224 - Resolve Pip installation dependency and create v1.4.3

Pull Request - State: closed - Opened by wittregr over 1 year ago

#222 - Updated PIP dependency requirements

Pull Request - State: closed - Opened by wittregr over 1 year ago

#221 - Merge pull request #220 from VlachosGroup/development

Pull Request - State: closed - Opened by wittregr over 1 year ago

#220 - Merge pull request #219 from VlachosGroup/master

Pull Request - State: closed - Opened by wittregr over 1 year ago

#219 - Sync Dev

Pull Request - State: closed - Opened by wittregr over 1 year ago

#218 - Sync Dev and master

Pull Request - State: closed - Opened by wittregr over 1 year ago

#217 - Resync GRW dev

Pull Request - State: closed - Opened by wittregr over 1 year ago

#216 - Clean-up for v1.4.2 and resync dev

Pull Request - State: closed - Opened by wittregr over 1 year ago

#215 - Refresh development env

Pull Request - State: closed - Opened by wittregr over 1 year ago

#214 - Create v1.4.0

Pull Request - State: closed - Opened by wittregr over 1 year ago

#213 - Equilibrium class, documentation updates, and bug fixes

Pull Request - State: closed - Opened by wittregr over 1 year ago

#212 - Add new Equilibrium class

Issue - State: closed - Opened by wittregr over 1 year ago - 1 comment
Labels: enhancement, dev branch

#211 - Refresh dev-branch from master

Pull Request - State: closed - Opened by wittregr over 1 year ago

#210 - Build v 1.3.2 includes entropy of elements functionality

Pull Request - State: closed - Opened by wittregr over 1 year ago

#209 - Build version 1.3.2

Pull Request - State: closed - Opened by wittregr over 1 year ago

#208 - Nasa9 empirical object fails to be created from data

Issue - State: closed - Opened by wittregr over 1 year ago
Labels: bug

#207 - Ability to create a matrix from vectors and scalars is deprecated

Issue - State: closed - Opened by wittregr over 1 year ago - 1 comment
Labels: bug, dev branch

#206 - Calculation of entropy does not include entropy of the elements of the molecule

Issue - State: closed - Opened by wittregr over 1 year ago - 1 comment
Labels: bug, dev branch

#205 - Update to version 1.3.1

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

#204 - Supplemental text not adding to thermdat when provided

Issue - State: closed - Opened by wittregr almost 2 years ago
Labels: bug, dev branch

#203 - Refresh Dev Environment to Master v1.3.1

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

#202 - Update to version 1.3.0 (Part 2)

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

#201 - Update to version 1.3.0

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

#200 - Bugfixes related to OpenMKM input file (thermo.yaml) creation.

Pull Request - State: closed - Opened by skasiraj almost 2 years ago
Labels: bug

#199 - OpenMKM-IO: Thermo YAML Creation bug

Issue - State: closed - Opened by skasiraj almost 2 years ago
Labels: bug, dev branch

#198 - Invalid unit tests: assert_almost_equal

Issue - State: open - Opened by jonlym about 2 years ago
Labels: bug

#197 - 193 bug in get q in statmechtrans

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

#196 - Only use custom normalization in phase diagram

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

#195 - Documentation request : kwargs, partial pressures and 2D phase diagrams

Issue - State: open - Opened by MCVifpen over 2 years ago - 1 comment
Labels: enhancement

#194 - 2D Phasediagram: call to matplotlib functions doesn't work

Issue - State: closed - Opened by MCVifpen over 2 years ago - 4 comments
Labels: bug, dev branch

#193 - bug in get_q in statmech.trans

Issue - State: closed - Opened by googhgoo over 2 years ago
Labels: bug, dev branch

#192 - Write non-SurfaceReactions to CTI files

Issue - State: open - Opened by francescalb almost 3 years ago
Labels: enhancement

#191 - Gas phase reactions for cantera/openmkm

Issue - State: closed - Opened by francescalb almost 3 years ago - 4 comments
Labels: bug, help wanted, question

#190 - Symmetry number calculation capability

Issue - State: open - Opened by googhgoo about 3 years ago - 1 comment
Labels: enhancement

#189 - Correct documentation for site density?

Issue - State: closed - Opened by francescalb about 3 years ago - 5 comments
Labels: bug

#188 - Converting pmutt.reaction.Reaction to modified Arrhenius equation

Issue - State: open - Opened by googhgoo about 3 years ago - 3 comments
Labels: enhancement

#187 - get_EoRT_act calculates HoRT_act

Issue - State: open - Opened by googhgoo about 3 years ago - 2 comments
Labels: bug

#185 - Allow pMuTT to parse reaction strings with multiple reaction delimiters

Issue - State: open - Opened by wittregr over 3 years ago
Labels: enhancement

#184 - Updated setup.py to use xlrd version 1.2.0 or less

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

#183 - xlrd, used by Pandas to read Excel files no longer supports .xlsx Excel workbook files

Issue - State: open - Opened by wittregr almost 4 years ago - 4 comments
Labels: bug

#182 - ImportError: cannot import name 'write_thermo_yaml' from 'pmutt.io.omkm'

Issue - State: closed - Opened by lqcata almost 4 years ago - 3 comments
Labels: question

#181 - Incorrect parameter type for reactions parameter in write_surf's docstring

Issue - State: closed - Opened by jonlym almost 4 years ago - 1 comment
Labels: docs, dev branch

#180 - Updated Documentation

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

#179 - Misleading default value for sden_operation parameter in get_A

Issue - State: closed - Opened by jonlym about 4 years ago
Labels: docs, dev branch

#177 - Convert species input to Reaction.from_string from list to dict automatically

Issue - State: closed - Opened by wittregr about 4 years ago - 1 comment
Labels: enhancement, dev branch

#176 - Added default methods to _ModelBase and updated tests

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

#175 - Fixed Hartree conversion and added T and P modes to omkm.py

Pull Request - State: closed - Opened by wittregr about 4 years ago - 1 comment

#174 - Fixed Hartree conversion and added modes to omkm.py

Pull Request - State: closed - Opened by wittregr about 4 years ago - 1 comment

#173 - Conversion from Hartree to eV is incorrect

Issue - State: closed - Opened by wittregr about 4 years ago
Labels: bug, dev branch

#172 - write_cti does not write sticking coefficients correctly

Issue - State: closed - Opened by wittregr about 4 years ago - 7 comments
Labels: question

#171 - Generic methods in _ModelBase

Issue - State: closed - Opened by jonlym about 4 years ago
Labels: enhancement, dev branch

#170 - Adding helper functions into documentation

Issue - State: closed - Opened by jonlym about 4 years ago - 1 comment
Labels: enhancement, docs, dev branch

#169 - help wanted set_vib_wavenumbers_from_outcar

Issue - State: closed - Opened by MCVifpen about 4 years ago - 6 comments
Labels: question

#168 - Bug fixes for OpenMKM IO

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

#167 - Added ads_act_method parameter to write_surf and write_EA

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

#166 - write_thermdat writes incorrect phase in thermdat

Issue - State: open - Opened by wittregr over 4 years ago
Labels: bug

#165 - Bug fixes for OpenMKM IO and files included in package

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