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VlachosGroup
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pMuTT
Python Multiscale Thermochemistry Toolbox (pMuTT)
https://vlachosgroup.github.io/pMuTT/
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Merge pull request #220 from VlachosGroup/development
#221
wittregr
closed
1 year ago
0
Merge pull request #219 from VlachosGroup/master
#220
wittregr
closed
1 year ago
0
Sync Dev
#219
wittregr
closed
1 year ago
0
Sync Dev and master
#218
wittregr
closed
1 year ago
0
Resync GRW dev
#217
wittregr
closed
1 year ago
0
Clean-up for v1.4.2 and resync dev
#216
wittregr
closed
1 year ago
0
Refresh development env
#215
wittregr
closed
1 year ago
0
Create v1.4.0
#214
wittregr
closed
1 year ago
0
Equilibrium class, documentation updates, and bug fixes
#213
wittregr
closed
1 year ago
0
Add new Equilibrium class
#212
wittregr
closed
1 year ago
1
Refresh dev-branch from master
#211
wittregr
closed
1 year ago
0
Build v 1.3.2 includes entropy of elements functionality
#210
wittregr
closed
1 year ago
0
Build version 1.3.2
#209
wittregr
closed
1 year ago
0
Nasa9 empirical object fails to be created from data
#208
wittregr
closed
5 months ago
0
Ability to create a matrix from vectors and scalars is deprecated
#207
wittregr
closed
1 year ago
1
Calculation of entropy does not include entropy of the elements of the molecule
#206
wittregr
closed
1 year ago
1
Update to version 1.3.1
#205
wittregr
closed
1 year ago
0
Supplemental text not adding to thermdat when provided
#204
wittregr
closed
1 year ago
0
Refresh Dev Environment to Master v1.3.1
#203
wittregr
closed
1 year ago
0
Update to version 1.3.0 (Part 2)
#202
wittregr
closed
1 year ago
0
Update to version 1.3.0
#201
wittregr
closed
1 year ago
0
Bugfixes related to OpenMKM input file (thermo.yaml) creation.
#200
skasiraj
closed
1 year ago
0
OpenMKM-IO: Thermo YAML Creation bug
#199
skasiraj
closed
1 year ago
0
Invalid unit tests: assert_almost_equal
#198
jonlym
opened
2 years ago
0
193 bug in get q in statmechtrans
#197
mpnunez
closed
2 years ago
1
Only use custom normalization in phase diagram
#196
mpnunez
closed
2 years ago
1
Documentation request : kwargs, partial pressures and 2D phase diagrams
#195
MCVifpen
opened
2 years ago
1
2D Phasediagram: call to matplotlib functions doesn't work
#194
MCVifpen
closed
1 year ago
4
bug in get_q in statmech.trans
#193
googhgoo
closed
1 year ago
0
Write non-SurfaceReactions to CTI files
#192
francescalb
opened
2 years ago
0
Gas phase reactions for cantera/openmkm
#191
francescalb
closed
2 years ago
4
Symmetry number calculation capability
#190
googhgoo
opened
2 years ago
1
Correct documentation for site density?
#189
francescalb
closed
2 years ago
5
Converting pmutt.reaction.Reaction to modified Arrhenius equation
#188
googhgoo
opened
2 years ago
3
get_EoRT_act calculates HoRT_act
#187
googhgoo
opened
2 years ago
2
Allow spreadsheet entry for species with an emperical relationship (NASA, NASA9, Shomate)
#186
wittregr
opened
3 years ago
0
Allow pMuTT to parse reaction strings with multiple reaction delimiters
#185
wittregr
opened
3 years ago
0
Updated setup.py to use xlrd version 1.2.0 or less
#184
jonlym
closed
3 years ago
0
xlrd, used by Pandas to read Excel files no longer supports .xlsx Excel workbook files
#183
wittregr
opened
3 years ago
4
ImportError: cannot import name 'write_thermo_yaml' from 'pmutt.io.omkm'
#182
lqcata
closed
3 years ago
3
Incorrect parameter type for reactions parameter in write_surf's docstring
#181
jonlym
closed
1 year ago
1
Updated Documentation
#180
jonlym
closed
3 years ago
0
Misleading default value for sden_operation parameter in get_A
#179
jonlym
closed
1 year ago
0
Update Reaction.from_string to automatically convert species from list to dict if list is entered
#178
wittregr
closed
3 years ago
0
Convert species input to Reaction.from_string from list to dict automatically
#177
wittregr
closed
1 year ago
1
Added default methods to _ModelBase and updated tests
#176
jonlym
closed
3 years ago
0
Fixed Hartree conversion and added T and P modes to omkm.py
#175
wittregr
closed
3 years ago
1
Fixed Hartree conversion and added modes to omkm.py
#174
wittregr
closed
3 years ago
1
Conversion from Hartree to eV is incorrect
#173
wittregr
closed
1 year ago
0
write_cti does not write sticking coefficients correctly
#172
wittregr
closed
3 years ago
7
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