Merge pull request #66 from glotzerlab/patchy-particle-pressure

Patchy particle pressure

dashboard.py

@@ -32,11 +32,25 @@ def job_title(self, job):
                    f"rho={job.statepoint.density}"
         elif (job.statepoint.subproject == 'hard_disk'
               or job.statepoint.subproject == 'hard_sphere'
-              or job.statepoint.subproject == 'simple_polygon'):
+              or job.statepoint.subproject == 'simple_polygon'
+              or job.statepoint.subproject == 'patchy_particle_pressure'):
             return f"{job.statepoint.subproject}: rho={job.statepoint.density}"
         else:
             raise RuntimeError("Unexpected job")
 
+    def job_sorter(self, job):
+        """Sort jobs."""
+        if job.statepoint.subproject == 'patchy_particle_pressure':
+            return (
+                job.sp.density,
+                job.sp.pressure,
+                job.sp.temperature,
+                job.sp.chi,
+                job.sp.replicate_idx,
+            )
+        else:
+            return job.statepoint.num_particles
+
 
 if __name__ == "__main__":
     ValidationDashboard(modules=modules).main()

hoomd_validation/config_parser.py

@@ -33,8 +33,8 @@ def __init__(self, config_file_path=DEFAULT_CONFIG_PATH):
         self["max_cores_submission"] = int(
             config.get("max_cores_submission", 16))
         self["max_gpus_submission"] = int(config.get("max_gpus_submission", 1))
-        self["max_walltime"] = int(config.get("max_walltime", 24))
-        self["short_walltime"] = int(config.get("short_walltime", 2))
+        self["max_walltime"] = float(config.get("max_walltime", 24))
+        self["short_walltime"] = float(config.get("short_walltime", 2))
         self["replicates"] = int(config.get("replicates", 32))
         self["enable_llvm"] = bool(config.get("enable_llvm", True))
         self["enable_gpu"] = bool(config.get("enable_gpu", True))

hoomd_validation/init.py

@@ -14,6 +14,7 @@
 import hard_disk
 import hard_sphere
 import simple_polygon
+import patchy_particle_pressure
 
 subprojects = [
     alj_2d,
@@ -22,6 +23,7 @@
     hard_disk,
     hard_sphere,
     simple_polygon,
+    patchy_particle_pressure,
 ]
 
 project = signac.init_project(path=config.project_root)