From 6f127c6b8d187d8ac247d8a5429bfe7bea8cae49 Mon Sep 17 00:00:00 2001
From: nikhitha79 <115790230+nikhitha79@users.noreply.github.com>
Date: Wed, 30 Oct 2024 22:15:39 +0530
Subject: [PATCH 1/2] Create rotational_partition

---
 physics/rotational_partition | 33 +++++++++++++++++++++++++++++++++
 1 file changed, 33 insertions(+)
 create mode 100644 physics/rotational_partition

diff --git a/physics/rotational_partition b/physics/rotational_partition
new file mode 100644
index 000000000000..73095cbbdfeb
--- /dev/null
+++ b/physics/rotational_partition
@@ -0,0 +1,33 @@
+def rotation_partition_function(moment_of_inertia: float, 
+    temperature: float) -> float:
+    """
+    Calculates the rotational partition 
+    function for linear molecules.
+
+    >>> round(rotation_partition_function(1e-46, 300), 4)
+    5.9275
+    >>> round(rotation_partition_function(2e-46, 300), 4)
+    11.855
+    >>> round(rotation_partition_function(-2e-46, 300), 4)
+    Traceback (most recent call last):
+        ...
+    ValueError: Moment of inertia must be positive
+    >>> round(rotation_partition_function(1e-46, -300), 4)
+    Traceback (most recent call last):
+        ...
+    ValueError: Temperature must be positive
+    """
+
+    if moment_of_inertia <= 0:
+        raise ValueError("Moment of inertia must be positive")
+    if temperature <= 0:
+        raise ValueError("Temperature must be positive")
+
+    k_B = 1.380649e-23  # Boltzmann constant
+    h = 6.62607015e-34  # Planck's constant
+
+    return (2 * math.pi * moment_of_inertia * k_B * temperature) / (h ** 2)
+
+if __name__ == "__main__":
+    import doctest
+    doctest.testmod(name="rotation_partition_function")

From 8368803dac370f774e48b67c751780c56b1a43ac Mon Sep 17 00:00:00 2001
From: "pre-commit-ci[bot]"
 <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Date: Wed, 30 Oct 2024 16:47:28 +0000
Subject: [PATCH 2/2] [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci
---
 physics/rotational_partition | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/physics/rotational_partition b/physics/rotational_partition
index 73095cbbdfeb..5dfbb3b73867 100644
--- a/physics/rotational_partition
+++ b/physics/rotational_partition
@@ -1,7 +1,7 @@
-def rotation_partition_function(moment_of_inertia: float, 
+def rotation_partition_function(moment_of_inertia: float,
     temperature: float) -> float:
     """
-    Calculates the rotational partition 
+    Calculates the rotational partition
     function for linear molecules.
 
     >>> round(rotation_partition_function(1e-46, 300), 4)