add mpids to names

autoatml · Oct 10, 2024 · a54996f · a54996f
1 parent d557323
commit a54996f
Showing 1 changed file with 4 additions and 0 deletions.
diff --git a/autoplex/auto/phonons/flows.py b/autoplex/auto/phonons/flows.py
@@ -232,6 +232,7 @@ def make(
                     w_angle=self.w_angle,
                     supercell_settings=self.supercell_settings,
                 )
+                addDFTrand.append_name("_"+str(mp_id))
                 flows.append(addDFTrand)
                 fit_input.update({mp_id: addDFTrand.output})
             if self.add_dft_phonon_struct:
@@ -243,6 +244,7 @@ def make(
                     supercell_settings=self.supercell_settings,
                 )
                 flows.append(addDFTphon)
+                addDFTphon.append_name("_"+str(mp_id))
                 fit_input.update({mp_id: addDFTphon.output})
             if self.add_dft_random_struct and self.add_dft_phonon_struct:
                 fit_input.update(
@@ -321,6 +323,7 @@ def make(
                         supercell_settings=self.supercell_settings,
                         **self.benchmark_kwargs,
                     )
+                    complete_bm.append_name("_"+str(benchmark_mp_ids[ibenchmark_structure]))
                     flows.append(complete_bm)
                     bm_outputs.append(complete_bm.output)
 
@@ -388,6 +391,7 @@ def make(
                                         supercell_settings=self.supercell_settings,
                                         **self.benchmark_kwargs,
                                     )
+                                    complete_bm.append_name("_"+str(benchmark_mp_ids[ibenchmark_structure]))
                                     flows.append(complete_bm)
                                     bm_outputs.append(complete_bm.output)
         collect_bm = write_benchmark_metrics(