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VlachosGroup
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pMuTT
Python Multiscale Thermochemistry Toolbox (pMuTT)
https://vlachosgroup.github.io/pMuTT/
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Generic methods in _ModelBase
#171
jonlym
closed
1 year ago
0
Adding helper functions into documentation
#170
jonlym
closed
1 year ago
1
help wanted set_vib_wavenumbers_from_outcar
#169
MCVifpen
closed
4 years ago
6
Bug fixes for OpenMKM IO
#168
jonlym
closed
4 years ago
0
Added ads_act_method parameter to write_surf and write_EA
#167
jonlym
closed
4 years ago
0
write_thermdat writes incorrect phase in thermdat
#166
wittregr
opened
4 years ago
0
Bug fixes for OpenMKM IO and files included in package
#165
jonlym
closed
4 years ago
0
Unit tests failed
#164
MCVifpen
closed
4 years ago
5
Update get_q_act
#163
wittregr
closed
4 years ago
1
Bug fixes for OpenMKM YAML format
#162
jonlym
closed
4 years ago
0
Not able to reproduce nasa from Cp values
#161
dronekill
closed
4 years ago
2
Added support for OpenMKM YAML for Thermodynamics and Kinetics
#160
jonlym
closed
4 years ago
0
Update to Version 1.2.21dev
#159
jonlym
closed
4 years ago
0
Added ExtendedLSR to documentation
#158
jonlym
closed
4 years ago
0
Update to Version 1.2.20
#157
jonlym
closed
4 years ago
0
Minor bug fixes
#156
jonlym
closed
4 years ago
0
Updated OpenMKM features
#155
jonlym
closed
4 years ago
0
Remove BEP descriptions for reaction IDs in OpenMKM CTI files.
#154
jonlym
closed
4 years ago
1
Update chemkin.py
#153
wittregr
closed
4 years ago
0
Setting up Version 1.2.20
#152
jonlym
closed
4 years ago
0
Add YAML support for thermodynamic and kinetics file
#151
jonlym
closed
1 year ago
4
Arbitrarily Setting Pre-exponential Factor and Activation Energy for OpenMKM Reactions
#150
jonlym
closed
4 years ago
2
Update to Version 1.2.19
#149
jonlym
closed
4 years ago
0
Updated OpenMKM IO functionality
#148
jonlym
closed
4 years ago
0
Misc. bug fixes
#147
jonlym
closed
4 years ago
0
Using G/RT vs. H/RT for adsorption reactions
#146
jonlym
closed
4 years ago
2
Setting up 1.2.19dev version
#145
jonlym
closed
4 years ago
0
Create Github releases
#144
jonlym
closed
4 years ago
0
GasPressureAdj Missing from Documentation
#143
jonlym
closed
4 years ago
1
Hotfix for broken links in documentation.
#142
jonlym
closed
4 years ago
0
Update to Version 1.2.17
#141
jonlym
closed
4 years ago
0
Improved documentation for new release.
#140
jonlym
closed
4 years ago
0
Rewrite OpenMKM example
#139
jonlym
closed
4 years ago
0
Improvements to OpenMKM IO functionality.
#138
jonlym
closed
4 years ago
0
Incorrect conversion factor for Hartree to J
#137
jonlym
closed
4 years ago
0
Minor improvements to test suite
#136
jonlym
closed
4 years ago
0
Add discussion for reference states
#135
jonlym
closed
4 years ago
0
Update to dev branch for hotfix 1.2.16
#134
jonlym
closed
4 years ago
0
More relevant types for attributes
#133
jonlym
opened
4 years ago
0
Cannot uninstall 'PyYAML' when updating pMuTT
#132
jonlym
closed
4 years ago
1
Update act_method_name in Chemkin_IO example.
#131
jonlym
closed
4 years ago
0
Update for 1.2.16dev
#130
jonlym
closed
4 years ago
0
Updated for Version 1.2.15
#129
jonlym
closed
4 years ago
1
Added functionality to write OpenMKM YAML files
#128
jonlym
closed
4 years ago
0
Added write_yaml for OpenMKM
#127
jonlym
closed
4 years ago
0
AIChE Workshop
#126
xenhua
closed
4 years ago
5
Bug fix and extra warnings in read_excel
#125
jonlym
closed
4 years ago
0
Error creating Nasa object from statmech
#124
wittregr
closed
4 years ago
1
Create OpenMKM YAML Files
#123
jonlym
closed
4 years ago
0
Updated for Version 1.2.14
#122
jonlym
closed
4 years ago
0
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