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move the ref file
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tests/generator/test_make_fp.py

Lines changed: 4 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -131,12 +131,6 @@
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DPGEN
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"""
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print(os.getcwd())
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with open(ref_cp2k_file_exinput, 'r') as f:
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cp2k_exinput_ref = ''.join(f.readlines())
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with open(ref_cp2k_file_input, 'r') as f:
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cp2k_input_ref = ''.join(f.readlines())
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pwmat_input_ref = "4 1\n\
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in.atom=atom.config\n\
@@ -761,6 +755,8 @@ def test_make_fp_cp2k(self):
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make_fp(0, jdata, {})
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_check_sel(self, 0, jdata['fp_task_max'], jdata['model_devi_f_trust_lo'], jdata['model_devi_f_trust_hi'])
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_check_poscars(self, 0, jdata['fp_task_max'], jdata['type_map'])
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with open(ref_cp2k_file_input, 'r') as f:
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cp2k_input_ref = ''.join(f.readlines())
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_check_cp2k_input_head(self, 0, cp2k_input_ref)
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_check_potcar(self, 0, jdata['fp_pp_path'], jdata['fp_pp_files'])
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shutil.rmtree('iter.000000')
@@ -786,6 +782,8 @@ def test_make_fp_cp2k_exinput(self):
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make_fp(0, jdata, {})
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_check_sel(self, 0, jdata['fp_task_max'], jdata['model_devi_f_trust_lo'], jdata['model_devi_f_trust_hi'])
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_check_poscars(self, 0, jdata['fp_task_max'], jdata['type_map'])
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with open(ref_cp2k_file_exinput, 'r') as f:
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cp2k_exinput_ref = ''.join(f.readlines())
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_check_cp2k_input_head(self, 0, cp2k_exinput_ref)
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_check_potcar(self, 0, jdata['fp_pp_path'], jdata['fp_pp_files'])
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shutil.rmtree('iter.000000')

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