diff --git a/.gitignore b/.gitignore
index c8f0442..5aeb17e 100644
--- a/.gitignore
+++ b/.gitignore
@@ -1,4 +1,5 @@
 /target
+/test
 
 # Byte-compiled / optimized / DLL files
 __pycache__/
diff --git a/Cargo.lock b/Cargo.lock
index c8bb9f7..0e3c010 100644
--- a/Cargo.lock
+++ b/Cargo.lock
@@ -101,9 +101,9 @@ checksum = "79296716171880943b8470b5f8d03aa55eb2e645a4874bdbb28adb49162e012c"
 
 [[package]]
 name = "bytemuck"
-version = "1.16.1"
+version = "1.16.3"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "b236fc92302c97ed75b38da1f4917b5cdda4984745740f153a5d3059e48d725e"
+checksum = "102087e286b4677862ea56cf8fc58bb2cdfa8725c40ffb80fe3a008eb7f2fc83"
 dependencies = [
  "bytemuck_derive",
 ]
@@ -116,24 +116,29 @@ checksum = "1ee891b04274a59bd38b412188e24b849617b2e45a0fd8d057deb63e7403761b"
 dependencies = [
  "proc-macro2",
  "quote",
- "syn 2.0.70",
+ "syn 2.0.72",
 ]
 
+[[package]]
+name = "byteorder"
+version = "1.5.0"
+source = "registry+https://github.com/rust-lang/crates.io-index"
+checksum = "1fd0f2584146f6f2ef48085050886acf353beff7305ebd1ae69500e27c67f64b"
+
 [[package]]
 name = "bytes"
-version = "1.6.0"
+version = "1.7.1"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "514de17de45fdb8dc022b1a7975556c53c86f9f0aa5f534b98977b171857c2c9"
+checksum = "8318a53db07bb3f8dca91a600466bdb3f2eaadeedfdbcf02e1accbad9271ba50"
 
 [[package]]
 name = "cc"
-version = "1.0.106"
+version = "1.1.8"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "066fce287b1d4eafef758e89e09d724a24808a9196fe9756b8ca90e86d0719a2"
+checksum = "504bdec147f2cc13c8b57ed9401fd8a147cc66b67ad5cb241394244f2c947549"
 dependencies = [
  "jobserver",
  "libc",
- "once_cell",
 ]
 
 [[package]]
@@ -280,7 +285,7 @@ dependencies = [
  "once_cell",
  "proc-macro2",
  "quote",
- "syn 2.0.70",
+ "syn 2.0.72",
 ]
 
 [[package]]
@@ -396,9 +401,9 @@ dependencies = [
 
 [[package]]
 name = "indexmap"
-version = "2.2.6"
+version = "2.3.0"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "168fb715dda47215e360912c096649d23d58bf392ac62f73919e831745e40f26"
+checksum = "de3fc2e30ba82dd1b3911c8de1ffc143c74a914a14e99514d7637e3099df5ea0"
 dependencies = [
  "equivalent",
  "hashbrown",
@@ -424,9 +429,9 @@ checksum = "9028f49264629065d057f340a86acb84867925865f73bbf8d47b4d149a7e88b8"
 
 [[package]]
 name = "jobserver"
-version = "0.1.31"
+version = "0.1.32"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "d2b099aaa34a9751c5bf0878add70444e1ed2dd73f347be99003d4577277de6e"
+checksum = "48d1dbcbbeb6a7fec7e059840aa538bd62aaccf972c7346c4d9d2059312853d0"
 dependencies = [
  "libc",
 ]
@@ -470,7 +475,7 @@ checksum = "a7a70ba024b9dc04c27ea2f0c0548feb474ec5c54bba33a7f72f873a39d07b24"
 
 [[package]]
 name = "log_lammps_reader"
-version = "0.1.5"
+version = "0.2.0"
 dependencies = [
  "polars",
  "pyo3",
@@ -480,9 +485,9 @@ dependencies = [
 
 [[package]]
 name = "lz4"
-version = "1.25.0"
+version = "1.26.0"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "d6eab492fe7f8651add23237ea56dbf11b3c4ff762ab83d40a47f11433421f91"
+checksum = "958b4caa893816eea05507c20cfe47574a43d9a697138a7872990bba8a0ece68"
 dependencies = [
  "libc",
  "lz4-sys",
@@ -490,9 +495,9 @@ dependencies = [
 
 [[package]]
 name = "lz4-sys"
-version = "1.9.5"
+version = "1.10.0"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "e9764018d143cc854c9f17f0b907de70f14393b1f502da6375dce70f00514eb3"
+checksum = "109de74d5d2353660401699a4174a4ff23fcc649caf553df71933c7fb45ad868"
 dependencies = [
  "cc",
  "libc",
@@ -1073,15 +1078,18 @@ dependencies = [
 
 [[package]]
 name = "portable-atomic"
-version = "1.6.0"
+version = "1.7.0"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "7170ef9988bc169ba16dd36a7fa041e5c4cbeb6a35b76d4c03daded371eae7c0"
+checksum = "da544ee218f0d287a911e9c99a39a8c9bc8fcad3cb8db5959940044ecfc67265"
 
 [[package]]
 name = "ppv-lite86"
-version = "0.2.17"
+version = "0.2.20"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "5b40af805b3121feab8a3c29f04d8ad262fa8e0561883e7653e024ae4479e6de"
+checksum = "77957b295656769bb8ad2b6a6b09d897d94f05c41b069aede1fcdaa675eaea04"
+dependencies = [
+ "zerocopy",
+]
 
 [[package]]
 name = "proc-macro2"
@@ -1148,7 +1156,7 @@ dependencies = [
  "proc-macro2",
  "pyo3-macros-backend",
  "quote",
- "syn 2.0.70",
+ "syn 2.0.72",
 ]
 
 [[package]]
@@ -1161,7 +1169,7 @@ dependencies = [
  "proc-macro2",
  "pyo3-build-config",
  "quote",
- "syn 2.0.70",
+ "syn 2.0.72",
 ]
 
 [[package]]
@@ -1227,9 +1235,9 @@ dependencies = [
 
 [[package]]
 name = "raw-cpuid"
-version = "11.0.2"
+version = "11.1.0"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "e29830cbb1290e404f24c73af91c5d8d631ce7e128691e9477556b540cd01ecd"
+checksum = "cb9ee317cfe3fbd54b36a511efc1edd42e216903c9cd575e686dd68a2ba90d8d"
 dependencies = [
  "bitflags",
 ]
@@ -1271,23 +1279,23 @@ source = "registry+https://github.com/rust-lang/crates.io-index"
 checksum = "76009fbe0614077fc1a2ce255e3a1881a2e3a3527097d5dc6d8212c585e7e38b"
 dependencies = [
  "quote",
- "syn 2.0.70",
+ "syn 2.0.72",
 ]
 
 [[package]]
 name = "redox_syscall"
-version = "0.5.2"
+version = "0.5.3"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "c82cf8cff14456045f55ec4241383baeff27af886adb72ffb2162f99911de0fd"
+checksum = "2a908a6e00f1fdd0dfd9c0eb08ce85126f6d8bbda50017e74bc4a4b7d4a926a4"
 dependencies = [
  "bitflags",
 ]
 
 [[package]]
 name = "regex"
-version = "1.10.5"
+version = "1.10.6"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "b91213439dad192326a0d7c6ee3955910425f441d7038e0d6933b0aec5c4517f"
+checksum = "4219d74c6b67a3654a9fbebc4b419e22126d13d2f3c4a07ee0cb61ff79a79619"
 dependencies = [
  "aho-corasick",
  "memchr",
@@ -1347,16 +1355,17 @@ checksum = "e0cd7e117be63d3c3678776753929474f3b04a43a080c744d6b0ae2a8c28e222"
 dependencies = [
  "proc-macro2",
  "quote",
- "syn 2.0.70",
+ "syn 2.0.72",
 ]
 
 [[package]]
 name = "serde_json"
-version = "1.0.120"
+version = "1.0.122"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "4e0d21c9a8cae1235ad58a00c11cb40d4b1e5c784f1ef2c537876ed6ffd8b7c5"
+checksum = "784b6203951c57ff748476b126ccb5e8e2959a5c19e5c617ab1956be3dbc68da"
 dependencies = [
  "itoa",
+ "memchr",
  "ryu",
  "serde",
 ]
@@ -1455,7 +1464,7 @@ dependencies = [
  "proc-macro2",
  "quote",
  "rustversion",
- "syn 2.0.70",
+ "syn 2.0.72",
 ]
 
 [[package]]
@@ -1471,9 +1480,9 @@ dependencies = [
 
 [[package]]
 name = "syn"
-version = "2.0.70"
+version = "2.0.72"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "2f0209b68b3613b093e0ec905354eccaedcfe83b8cb37cbdeae64026c3064c16"
+checksum = "dc4b9b9bf2add8093d3f2c0204471e951b2285580335de42f9d2534f3ae7a8af"
 dependencies = [
  "proc-macro2",
  "quote",
@@ -1482,9 +1491,9 @@ dependencies = [
 
 [[package]]
 name = "sysinfo"
-version = "0.30.12"
+version = "0.30.13"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "732ffa00f53e6b2af46208fba5718d9662a421049204e156328b66791ffa15ae"
+checksum = "0a5b4ddaee55fb2bea2bf0e5000747e5f5c0de765e5a5ff87f4cd106439f4bb3"
 dependencies = [
  "cfg-if",
  "core-foundation-sys",
@@ -1502,28 +1511,28 @@ checksum = "c1bbb9f3c5c463a01705937a24fdabc5047929ac764b2d5b9cf681c1f5041ed5"
 
 [[package]]
 name = "target-lexicon"
-version = "0.12.15"
+version = "0.12.16"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "4873307b7c257eddcb50c9bedf158eb669578359fb28428bef438fec8e6ba7c2"
+checksum = "61c41af27dd6d1e27b1b16b489db798443478cef1f06a660c96db617ba5de3b1"
 
 [[package]]
 name = "thiserror"
-version = "1.0.61"
+version = "1.0.63"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "c546c80d6be4bc6a00c0f01730c08df82eaa7a7a61f11d656526506112cc1709"
+checksum = "c0342370b38b6a11b6cc11d6a805569958d54cfa061a29969c3b5ce2ea405724"
 dependencies = [
  "thiserror-impl",
 ]
 
 [[package]]
 name = "thiserror-impl"
-version = "1.0.61"
+version = "1.0.63"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "46c3384250002a6d5af4d114f2845d37b57521033f30d5c3f46c4d70e1197533"
+checksum = "a4558b58466b9ad7ca0f102865eccc95938dca1a74a856f2b57b6629050da261"
 dependencies = [
  "proc-macro2",
  "quote",
- "syn 2.0.70",
+ "syn 2.0.72",
 ]
 
 [[package]]
@@ -1561,18 +1570,18 @@ checksum = "c7de7d73e1754487cb58364ee906a499937a0dfabd86bcb980fa99ec8c8fa2ce"
 
 [[package]]
 name = "uuid"
-version = "1.9.1"
+version = "1.10.0"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "5de17fd2f7da591098415cff336e12965a28061ddace43b59cb3c430179c9439"
+checksum = "81dfa00651efa65069b0b6b651f4aaa31ba9e3c3ce0137aaad053604ee7e0314"
 dependencies = [
  "getrandom",
 ]
 
 [[package]]
 name = "version_check"
-version = "0.9.4"
+version = "0.9.5"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "49874b5167b65d7193b8aba1567f5c7d93d001cafc34600cee003eda787e483f"
+checksum = "0b928f33d975fc6ad9f86c8f283853ad26bdd5b10b7f1542aa2fa15e2289105a"
 
 [[package]]
 name = "wasi"
@@ -1601,7 +1610,7 @@ dependencies = [
  "once_cell",
  "proc-macro2",
  "quote",
- "syn 2.0.70",
+ "syn 2.0.72",
  "wasm-bindgen-shared",
 ]
 
@@ -1623,7 +1632,7 @@ checksum = "e94f17b526d0a461a191c78ea52bbce64071ed5c04c9ffe424dcb38f74171bb7"
 dependencies = [
  "proc-macro2",
  "quote",
- "syn 2.0.70",
+ "syn 2.0.72",
  "wasm-bindgen-backend",
  "wasm-bindgen-shared",
 ]
@@ -1750,9 +1759,9 @@ checksum = "589f6da84c646204747d1270a2a5661ea66ed1cced2631d546fdfb155959f9ec"
 
 [[package]]
 name = "xxhash-rust"
-version = "0.8.11"
+version = "0.8.12"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "63658493314859b4dfdf3fb8c1defd61587839def09582db50b8a4e93afca6bb"
+checksum = "6a5cbf750400958819fb6178eaa83bee5cd9c29a26a40cc241df8c70fdd46984"
 
 [[package]]
 name = "zerocopy"
@@ -1760,6 +1769,7 @@ version = "0.7.35"
 source = "registry+https://github.com/rust-lang/crates.io-index"
 checksum = "1b9b4fd18abc82b8136838da5d50bae7bdea537c574d8dc1a34ed098d6c166f0"
 dependencies = [
+ "byteorder",
  "zerocopy-derive",
 ]
 
@@ -1771,7 +1781,7 @@ checksum = "fa4f8080344d4671fb4e831a13ad1e68092748387dfc4f55e356242fae12ce3e"
 dependencies = [
  "proc-macro2",
  "quote",
- "syn 2.0.70",
+ "syn 2.0.72",
 ]
 
 [[package]]
@@ -1785,18 +1795,18 @@ dependencies = [
 
 [[package]]
 name = "zstd-safe"
-version = "7.2.0"
+version = "7.2.1"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "fa556e971e7b568dc775c136fc9de8c779b1c2fc3a63defaafadffdbd3181afa"
+checksum = "54a3ab4db68cea366acc5c897c7b4d4d1b8994a9cd6e6f841f8964566a419059"
 dependencies = [
  "zstd-sys",
 ]
 
 [[package]]
 name = "zstd-sys"
-version = "2.0.12+zstd.1.5.6"
+version = "2.0.13+zstd.1.5.6"
 source = "registry+https://github.com/rust-lang/crates.io-index"
-checksum = "0a4e40c320c3cb459d9a9ff6de98cff88f4751ee9275d140e2be94a2b74e4c13"
+checksum = "38ff0f21cfee8f97d94cef41359e0c89aa6113028ab0291aa8ca0038995a95aa"
 dependencies = [
  "cc",
  "pkg-config",
diff --git a/Cargo.toml b/Cargo.toml
index 4afac07..e2693ba 100644
--- a/Cargo.toml
+++ b/Cargo.toml
@@ -1,6 +1,6 @@
 [package]
 name = "log_lammps_reader"
-version = "0.1.5"
+version = "0.2.0"
 edition = "2021"
 
 # See more keys and their definitions at https://doc.rust-lang.org/cargo/reference/manifest.html
diff --git a/README.md b/README.md
index 1609911..edf6af1 100644
--- a/README.md
+++ b/README.md
@@ -23,6 +23,7 @@ Using pip:
 pip install log-lammps-reader
 ```
 
+
 ## Build From Source
 
 Alternatively, to build the Python module, follow these steps:
@@ -36,7 +37,7 @@ Alternatively, to build the Python module, follow these steps:
 1. Ensure you have `maturin` installed:
 
    ```bash
-   pip install maturin
+   pip install maturin # or use conda or micromamba
    ```
 
 2. Compile the Rust packages and install the python module.
@@ -47,15 +48,22 @@ Alternatively, to build the Python module, follow these steps:
 
 ## Usage Examples
 
-### Python
+- Note the `run_number = 0` gives the first data output which might include the minimization run.
+- To get the useful data start with `run_number = 1`.
+
+
+### Build For Python
 
 ```python
 import log_lammps_reader
 
 thermo_number = 0 # Choose the nth number of thermo run
 df = log_lammps_reader.new('log.lammps') # polars DataFrame for 1st thermo run
+# usually the minimization run
 
 # Or choose the nth number of thermo run (default n = 0)
+# n = 0 might consider the MPI minimization data, so in most cases
+# start with n = 1
 df = log_lammps_reader.new('log.lammps', n) 
 time = df.get_column('Time') # Get any thermo column
 time_squared = time ** 2 # use broadcasting operations similar to numpy
@@ -73,7 +81,7 @@ Example of a DataFrame for a LAMMPS log file.
 
 ```python
 >>> import log_lammps_reader
->>> df = log_lammps_reader.new('log.lammps')
+>>> df = log_lammps_reader.new('log.lammps', 1)
 >>> df
 shape: (10_000_002, 10)
 ┌──────────────┬───────────┬───────────┬───────────┬───┬───────┬────────────┬───────────┬───────────┐
@@ -125,7 +133,9 @@ use log_lammps_reader::LogLammpsReader;
 
 fn main() {
     let log_file_name = "log.lammps";
-    let run_number = Some(0);
+    // skipping minimization
+    let run_number = Some(1);
+
 
     match LogLammpsReader::new(log_file_name.into(), run_number) {
         Ok(df) => println!("DataFrame read successfully: {:?}", df),
diff --git a/src/lib.rs b/src/lib.rs
index 1834073..394150b 100644
--- a/src/lib.rs
+++ b/src/lib.rs
@@ -4,17 +4,15 @@ use pyo3_polars::PyDataFrame;
 mod reader;
 use reader::LogLammpsReader;
 
-/** This Rust code integrates with Python using PyO3 and PyPolars
-to provide a Python interface for reading and processing LAMMPS
-log files. The main function `new` serves as a bridge between
-Rust and Python, allowing Python code to call Rust functions to
-parse log files. It utilizes the LogLammpsReader struct from the
-`reader` module to handle the actual parsing and conversion of log
-file data into a DataFrame.
+/**
+### Parameters:
+`log_file_name`: File path for the LAMMPS log file
+`thermo_run_number`: The index of the run thermo (default = 0)
+Note:
+The default thermo_run_number includes the MPI minimization data
+So usually what you need will start at index 1
 
-Parameters:
-log_file_name: File path for the LAMMPS log file
-thermo_run_number: The index of the run thermo (default = 0)*/
+*/
 #[pyfunction]
 fn new(log_file_name: &str, thermo_run_number: Option<u32>) -> PyResult<PyDataFrame> {
     match LogLammpsReader::new(log_file_name.into(), thermo_run_number) {
@@ -26,9 +24,16 @@ fn new(log_file_name: &str, thermo_run_number: Option<u32>) -> PyResult<PyDataFr
     }
 }
 
-/// Adds the rust function to the python module.
+/** Adds the rust function to the python module.
+This Rust code integrates with Python using PyO3 and PyPolars
+to provide a Python interface for reading and processing LAMMPS
+log files. The main function `new` serves as a bridge between
+Rust and Python, allowing Python code to call Rust functions to
+parse log files. It utilizes the LogLammpsReader struct from the
+`reader` module to handle the actual parsing and conversion of log
+file data into a DataFrame. */
 #[pymodule]
-fn log_lammps_reader(m: &Bound<'_, PyModule>) -> PyResult<()> {
+fn log_lammps_reader(_py: Python, m: &Bound<PyModule>) -> PyResult<()> {
     m.add_function(wrap_pyfunction!(new, m)?)?;
     Ok(())
 }
diff --git a/src/reader.rs b/src/reader.rs
index b151767..7fb55e4 100644
--- a/src/reader.rs
+++ b/src/reader.rs
@@ -5,17 +5,12 @@ use std::io::{BufRead, BufReader};
 use std::path::PathBuf;
 
 const ERROR_FLAGS: [&str; 2] = ["Loop time", "ERROR"];
-const MPI_FLAGS: [&str; 2] = [
-    "MPI task timing breakdown",
-    "Per MPI rank memory allocation",
-];
+const MPI_FLAG: &str = "Per MPI rank memory allocation";
 
 /** This Rust code uses the Polars library to parse log files,
 particularly from LAMMPS simulations. The goal is to read
 specific data blocks from the log file and convert them
-into a DataFrame format for further analysis. The parsing
-logic focuses on extracting data between specific MPI
-flags and handling error flags appropriately. */
+into a DataFrame format for further analysis. */
 pub struct LogLammpsReader {
     log_file_name: PathBuf,
     thermo_run_number: u32,
@@ -35,29 +30,30 @@ impl LogLammpsReader {
             log_file_name,
             thermo_run_number: run_number.unwrap_or_default(),
         }
-        .parse()
+        .parse_lammps_log()
     }
 
     /// Method to parse the log file and convert the log file into a DataFrame.
-    fn parse(&self) -> Result<DataFrame, Box<dyn std::error::Error>> {
+    fn parse_lammps_log(&self) -> Result<DataFrame, Box<dyn std::error::Error>> {
         let mut current_thermo_run_num: u32 = 0;
         let mut data_flag: bool = false;
-        let mut minimization_flag: bool = false;
         let mut log_header: Vec<String> = Vec::new();
         let mut log_data: Vec<Vec<f64>> = Vec::new();
 
-        let log_file: File = File::open(&self.log_file_name)
-            .map_err(|_| format!("Log file '{}' not found...", &self.log_file_name.display()))?;
+        let log_file: File = File::open(&self.log_file_name).map_err(|_| {
+            format!(
+                "Log file at '{}' not found...\nCheck 'log_file_name' parameter",
+                &self.log_file_name.display()
+            )
+        })?;
         let log_reader: BufReader<File> = BufReader::new(log_file);
 
         for line_result in log_reader.lines() {
             let line: String = line_result?;
 
-            // Check for MPI flags to set minimization and run flags.
-            if !minimization_flag || !data_flag {
-                if line.starts_with(MPI_FLAGS[0]) {
-                    minimization_flag = true;
-                } else if line.starts_with(MPI_FLAGS[1]) && minimization_flag {
+            // Check for MPI flag to set minimization and data flags.
+            if !data_flag {
+                if line.starts_with(MPI_FLAG) {
                     data_flag = true;
                 }
                 continue;
@@ -71,7 +67,6 @@ impl LogLammpsReader {
 
             // Reset flags and increase run number upon encountering error flags.
             if line.starts_with(ERROR_FLAGS[0]) || line.starts_with(ERROR_FLAGS[1]) {
-                minimization_flag = false;
                 data_flag = false;
                 current_thermo_run_num += 1;
                 if current_thermo_run_num > self.thermo_run_number {
@@ -86,12 +81,13 @@ impl LogLammpsReader {
                 continue;
             }
 
-            // Parse data rows and filter out invalid rows.
+            // Parse data rows
             let row: Vec<f64> = line
                 .split_whitespace()
                 .filter_map(|s: &str| s.parse().ok())
                 .collect();
 
+            // filter out invalid rows.
             if row.len() != log_header.len() {
                 continue;
             }
@@ -101,8 +97,11 @@ impl LogLammpsReader {
 
         if log_data.is_empty() {
             return Err(format!(
-                "No data found in the log file for run {}",
-                self.thermo_run_number
+                "No data found in the log file for run: {}\nThis may be caused due to
+                \n1. Incorrect 'run_number' parameter (Try 'run_number = {}')
+                \n2. Unsual format of log file",
+                self.thermo_run_number,
+                self.thermo_run_number - 1
             )
             .into());
         }