diff --git a/Cargo.lock b/Cargo.lock
index 70ee1b3..072a82b 100644
--- a/Cargo.lock
+++ b/Cargo.lock
@@ -524,6 +524,21 @@ dependencies = [
  "rawpointer",
 ]
 
+[[package]]
+name = "ndarray"
+version = "0.16.1"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "882ed72dce9365842bf196bdeedf5055305f11fc8c03dee7bb0194a6cad34841"
+dependencies = [
+ "matrixmultiply",
+ "num-complex",
+ "num-integer",
+ "num-traits",
+ "portable-atomic",
+ "portable-atomic-util",
+ "rawpointer",
+]
+
 [[package]]
 name = "ndarray-linalg"
 version = "0.16.0"
@@ -533,7 +548,7 @@ dependencies = [
  "cauchy",
  "katexit",
  "lax",
- "ndarray",
+ "ndarray 0.15.6",
  "num-complex",
  "num-traits",
  "rand",
@@ -649,6 +664,15 @@ version = "1.9.0"
 source = "registry+https://github.com/rust-lang/crates.io-index"
 checksum = "cc9c68a3f6da06753e9335d63e27f6b9754dd1920d941135b7ea8224f141adb2"
 
+[[package]]
+name = "portable-atomic-util"
+version = "0.2.2"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "fcdd8420072e66d54a407b3316991fe946ce3ab1083a7f575b2463866624704d"
+dependencies = [
+ "portable-atomic",
+]
+
 [[package]]
 name = "ppv-lite86"
 version = "0.2.20"
@@ -766,7 +790,7 @@ dependencies = [
  "cpython",
  "criterion",
  "factorial",
- "ndarray",
+ "ndarray 0.16.1",
  "ndarray-linalg",
  "num-integer",
  "serde",
diff --git a/Cargo.toml b/Cargo.toml
index 35b1e5b..b8d4377 100644
--- a/Cargo.toml
+++ b/Cargo.toml
@@ -16,7 +16,7 @@ cpython = "0.7"
 serde = { version = "1.0", features = [ "derive" ] }
 serde_json = "1.0"
 chemfiles = "0.10"
-ndarray = "0.15"
+ndarray = "0.16"
 ndarray-linalg = { version = "0.16", features = [ "netlib" ] }
 boys = { version = "0.1", git = "https://github.com/berquist/boys" }