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Merged
merged 13 commits into from
May 21, 2024
4 changes: 2 additions & 2 deletions .github/workflows/python-package.yml
Original file line number Diff line number Diff line change
Expand Up @@ -25,9 +25,9 @@ jobs:
os: ubuntu-20.04

steps:
- uses: actions/checkout@v3
- uses: actions/checkout@v4
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v3
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
- name: Install dependencies
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6 changes: 3 additions & 3 deletions chemcat/cea/cea.py
Original file line number Diff line number Diff line change
Expand Up @@ -186,7 +186,8 @@ def heat_func(a_coeffs, t_coeffs):
-------
heat: Callable
A function heat(temperature) that evaluates the molar heat
capacity, cp(T)/R, for a given temperature input
capacity at constant pressure (divided by the universal gas
constant), cp(T)/R, for a given temperature input
(which can be a single value or a 1D iterable).

Examples
Expand All @@ -207,8 +208,7 @@ def heat(temperature):
temperature = [temperature]
temperature = np.array(temperature, np.double)

heat_capacity = u.heat(
temperature, a_coeffs, t_coeffs)
heat_capacity = u.heat(temperature, a_coeffs, t_coeffs)
return heat_capacity
return heat

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5 changes: 3 additions & 2 deletions chemcat/network.py
Original file line number Diff line number Diff line change
Expand Up @@ -213,8 +213,9 @@ def __init__(

def heat_capacity(self, temperature=None):
"""
Evaluate the heat capacity of each species in the network
at the given temperature (default to self.temperature if needed).
Compute Cp/R(temperature) for each species in the network,
where Cp is the molar heat capacity at constant pressure and
R is the universal gas constant (8.31 J mol-1 K-1).
"""
if temperature is None:
temperature = self.temperature
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2 changes: 1 addition & 1 deletion chemcat/version.py
Original file line number Diff line number Diff line change
Expand Up @@ -2,5 +2,5 @@
# chemcat is open-source software under the GPL-2.0 license (see LICENSE)

# chemcat version:
__version__ = '0.3.8'
__version__ = '0.3.9'

2 changes: 2 additions & 0 deletions docs/api.rst
Original file line number Diff line number Diff line change
@@ -1,3 +1,5 @@
.. _api:

API
===

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219 changes: 79 additions & 140 deletions docs/chemistry_tutorial.ipynb

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