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VlachosGroup
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pMuTT
Python Multiscale Thermochemistry Toolbox (pMuTT)
https://vlachosgroup.github.io/pMuTT/
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Blank Excel headers
#121
jonlym
closed
4 years ago
0
Update to Version 1.2.14
#120
jonlym
closed
4 years ago
0
Improvements to OpenMKM CTI writer
#119
jonlym
closed
4 years ago
0
Robust Test Suite
#118
jonlym
opened
4 years ago
0
Added flexible unit sets for Shomate object.
#117
jonlym
closed
4 years ago
0
Added option in output functions to return lines as string
#116
jonlym
closed
4 years ago
0
Explicitly passed datatype to np.*_like functions.
#115
jonlym
closed
4 years ago
0
write_thermdat output to console vs file
#114
wittregr
closed
4 years ago
1
Creation of Nasa object from model using a Shomate empirical model fails
#113
wittregr
closed
4 years ago
3
Shomate polynomials are not dimensionless
#112
wittregr
closed
4 years ago
1
get_q_state error
#111
xenhua
closed
4 years ago
4
Added BEPs for OpenMKM input writer. Updated Gaussian IO functions. Misc bug fixes.
#110
jonlym
closed
4 years ago
0
Additional Gaussian Input Properties
#109
jonlym
opened
4 years ago
0
Default units for Gaussian electronic energy
#108
jonlym
closed
4 years ago
0
Add ability to write BEP relationships in OpenMKM
#107
jonlym
closed
4 years ago
3
Removing leading and trailing spaces in excel sheets
#106
jonlym
closed
4 years ago
0
Updated for final release of Version 1.2.13
#105
jonlym
closed
4 years ago
0
Update to Version 1.2.13
#104
jonlym
closed
4 years ago
0
Fixed bug in Shomate
#103
jonlym
closed
4 years ago
0
Added support for calculating quantities on per mass basis
#102
jonlym
closed
4 years ago
0
Added GasPressureAdj
#101
jonlym
closed
4 years ago
0
Added warnings to write_surf, write_gas and get_rot_temperatures_from_atoms
#100
jonlym
closed
4 years ago
0
IO Improvements, generic from_model method, and other QoL improvements
#99
jonlym
closed
4 years ago
0
Optimizing T_mid for NASA and NASA9 polynomials
#98
jonlym
opened
4 years ago
0
Co-adsorbed species
#97
xenhua
closed
4 years ago
2
Generic from_model method for empirical objects
#96
jonlym
closed
4 years ago
0
Adsorption/Desorption Rate constants
#95
xenhua
opened
4 years ago
4
Broken Links in Documentation
#94
jonlym
opened
4 years ago
2
Check for line length for Chemkin surf.inp
#93
jonlym
closed
4 years ago
0
Ability to read NASA9 polynomials from thermdat files
#92
jonlym
opened
5 years ago
0
Using Plotly to generate graphs
#91
jonlym
opened
5 years ago
0
Updated excel.py
#90
jonlym
closed
5 years ago
0
Fix for: Rotational temperature calculation for linear molecule
#89
jonlym
closed
5 years ago
0
Rotational temperature calculation for linear molecule
#88
googhgoo
closed
4 years ago
1
Feature request - Cantera input file
#87
xenhua
opened
5 years ago
3
Update to Version 1.2.12
#86
jonlym
closed
5 years ago
0
Fixed bug for specifying individual modes in excel input.
#85
jonlym
closed
5 years ago
0
StatMech model for a two-dimensional gas
#84
xenhua
closed
5 years ago
5
Kinetic and Thermodynamic parameter estimation - Equations
#83
xenhua
closed
5 years ago
6
Improvements for Version 1.2.12
#82
jonlym
closed
5 years ago
0
Added Nasa9 polynomials and preliminary support for Cantera and OpenMKM
#81
jonlym
closed
5 years ago
0
NAM minimal VirtualBox OVA
#80
xenhua
closed
5 years ago
1
NAM Minimal virtualbox
#79
xenhua
closed
5 years ago
0
Add NASA9 format
#78
jonlym
closed
5 years ago
3
Updated development branch to be consistent with master (version 1.2.11)
#77
jonlym
closed
5 years ago
0
Pressure dependence for Empirical objects
#76
jonlym
closed
4 years ago
0
High level interface for numbers
#75
googhgoo
opened
5 years ago
1
Importing OVA file to VirtualBox shows E_INVALIDARG error.
#74
jonlym
closed
5 years ago
1
Thermodynamic quantities per unit mass
#73
jonlym
closed
4 years ago
1
.gitignore additions for macOS environments
#72
mbolinas
closed
5 years ago
0
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