chore(deps): update dependency numpy to v2

CHANGELOG.md

@@ -2,6 +2,14 @@
 
 All notable changes to this project will be documented in this file. See [standard-version](https://github.com/conventional-changelog/standard-version) for commit guidelines.
 
+## [1.5.0](https://gitea.deepak.science:2222/physics/deepdog/compare/1.4.0...1.5.0) (2024-12-30)
+
+
+### Features
+
+* add configurable max number of dipoles to write ([a1b59cd](https://gitea.deepak.science:2222/physics/deepdog/commit/a1b59cd18b30359328a09210d9393f211aab30c2))
+* add configurable max number of dipoles to write ([53f8993](https://gitea.deepak.science:2222/physics/deepdog/commit/53f8993f2b155228fff5cbee84f10c62eb149a1f))
+
 ## [1.4.0](https://gitea.deepak.science:2222/physics/deepdog/compare/1.3.0...1.4.0) (2024-09-04)
 
 

deepdog/direct_monte_carlo/direct_mc.py

@@ -284,31 +284,47 @@ class DirectMonteCarloRun:
 
 					pool_results = sum(result[0] for result in raw_pool_results)
 
+					_logger.debug(f"Pool results: {pool_results}")
+
 					if self.config.write_successes_to_file:
+
+						_logger.info("Writing dipole results")
+
 						cycle_success_configs = numpy.concatenate(
 							[result[1] for result in raw_pool_results]
 						)
-						if len(cycle_success_configs):
 
+						dipole_count = numpy.array(cycle_success_configs).shape[1]
+
+						max_number_dipoles_to_write = self.config.target_success * 5
+						_logger.debug(
+							f"Limiting to {max_number_dipoles_to_write=}, have {len(cycle_success_configs)}"
+						)
+
+						if len(cycle_success_configs):
 							sorted_by_freq = numpy.array(
 								[
 									pdme.subspace_simulation.sort_array_of_dipoles_by_frequency(
 										dipole_config
 									)
-									for dipole_config in cycle_success_configs
+									for dipole_config in cycle_success_configs[
+										:max_number_dipoles_to_write
+									]
 								]
 							)
-							dipole_count = numpy.array(cycle_success_configs).shape[1]
-
-							number_dipoles_to_write = self.config.target_success * 5
-							_logger.info(
-								f"Limiting to {number_dipoles_to_write=}, have {dipole_count}"
-							)
 
 							for n in range(dipole_count):
+
+								dipole_filename = (
+									f"{self.config.tag}_{step_count}_dipole_{n}.csv"
+								)
+								_logger.debug(
+									f"Writing {min(len(cycle_success_configs), max_number_dipoles_to_write)} to {dipole_filename}"
+								)
+
 								numpy.savetxt(
-									f"{self.config.tag}_{step_count}_dipole_{n}.csv",
-									sorted_by_freq[::number_dipoles_to_write, n],
+									dipole_filename,
+									sorted_by_freq[:, n],
 									delimiter=",",
 								)
 						else:
@@ -316,8 +332,6 @@ class DirectMonteCarloRun:
 								"Instructed to write results, but none obtained"
 							)
 
-					_logger.debug(f"Pool results: {pool_results}")
-
 					total_success += pool_results
 					total_count += count_per_step
 					_logger.debug(

pyproject.toml

@@ -1,13 +1,13 @@
 [tool.poetry]
 name = "deepdog"
-version = "1.4.0"
+version = "1.5.0"
 description = ""
 authors = ["Deepak Mallubhotla <dmallubhotla+github@gmail.com>"]
 
 [tool.poetry.dependencies]
 python = ">=3.8.1,<3.10"
 pdme = "^1.5.0"
-numpy = "1.22.3"
+numpy = "2.2.2"
 scipy = "1.10"
 tqdm = "^4.66.2"