updating to most recent musica version (#298)

* updating to most recent musica version

* updating version in citation file

* adding contributor

CITATION.cff

@@ -1,7 +1,7 @@
 cff-version: 1.2.0
 message: If you use this software, please cite it as below.
 title: MusicBox
-version: v2.5.5
+version: v2.6.0
 authors:
   - family-names: Dawson
     given-names: Matthew
@@ -19,5 +19,7 @@ authors:
     given-names: Brendan
   - family-names: Drews
     given-names: Carl
+  - family-names: Kiran
+    given-names: Aditya
 license: Apache-2.0
 url: "https://github.com/NCAR/music-box"

pyproject.toml

@@ -21,7 +21,7 @@ classifiers = ["License :: OSI Approved :: Apache Software License"]
 dynamic = ["version", "description"]
 
 dependencies = [
-  "musica==0.8.1",
+  "musica==0.9.0",
   "xarray",
   "colorlog",
   "pandas",

src/acom_music_box/__init__.py

@@ -4,7 +4,7 @@
 This package contains modules for handling various aspects of a music box,
 including species, products, reactants, reactions, and more.
 """
-__version__ = "2.5.5"
+__version__ = "2.6.0"
 
 from .utils import convert_time, convert_pressure, convert_temperature, convert_concentration
 from .model_options import BoxModelOptions

src/acom_music_box/music_box.py

@@ -154,8 +154,7 @@ def solve(self, callback=None):
                         next_conditions = None
 
                 #  calculate air density from the ideal gas law
-                air_density = curr_conditions.pressure / \
-                    (GAS_CONSTANT * curr_conditions.temperature)
+                air_density = curr_conditions.pressure / (GAS_CONSTANT * curr_conditions.temperature)
 
                 # outputs to output_array if enough time has elapsed
                 if (next_output_time <= curr_time):
@@ -229,7 +228,7 @@ def loadJson(self, path_to_json):
         camp_path = os.path.join(os.path.dirname(path_to_json), self.config_file)
 
         # Initalize the musica solver
-        self.solver = musica.create_solver(camp_path, musica.micmsolver.rosenbrock, 1)
+        self.solver = musica.create_solver(camp_path, musica.micmsolver.rosenbrock_standard_order, 1)
 
     @staticmethod
     def order_reaction_rates(curr_conditions, rate_constant_ordering):