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指定の元素種を含む POSCAR ファイルパスのリストの取得(実行ログメモ)

Last updated at Posted at 2024-01-09

目的

指定の元素種を含む POSCAR ファイルパスのリ ストの取得(ログ) #POSCAR - Qiita
を,実行した記録用.

これまでに取得した単一の元素

  • C
  • H
  • N
  • O
    ======== 23-01-18追加 =======
  • P
  • Al
  • Cl
  • B
  • F
  • Br
  • S
  • I
  • Mn
  • Se
    ======== 23-01-31追加 =======
  • Pb
  • Ti
  • Ca
  • Sn

これまで取得した元素種のペア

  • N, H
  • P, H
  • Al, Cl
  • B, F
  • B, H
  • Br, O
  • Cl, O
  • C, N
  • C, N, S
  • C, O
  • I, O
  • N
  • N, C, O
  • N, O
  • Mn, O
  • O, H
  • S, O
  • Se, O
    ####### ここまで完了 ########
  • Pt, F
  • Pt, Cl
  • Pt, Br
  • Pt, I
    ======== 23-01-31追加 =======
  • Pb, C, N, H
  • Pb, C, N, H, I
  • Pb, C, N, H, Br
  • Pb, C, N, H, Cl
  • Sn, C, N, H
  • Sn, C, N, H, I
  • Sn, C, N, H, Br
  • Sn, C, N, H, Cl

元素種Cを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py C

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:05<00:00, 424.82it/s]
len(C_existed_poscar_file_path_list): 274540
C_existed-poscar file, and folder path list were saved as .npy!!!

real 12m20.029s
user 3m56.862s
sys 8m18.341s

元素種Hを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py H

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [11:48<00:00, 435.22it/s]
len(H_existed_poscar_file_path_list): 274950
H_existed-poscar file, and folder path list were saved as .npy!!!

real 12m4.304s
user 4m3.709s
sys 8m28.179s

元素種Nを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py N

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:18<00:00, 417.39it/s]
len(N_existed_poscar_file_path_list): 213443
N_existed-poscar file, and folder path list were saved as .npy!!!

real 12m36.576s
user 4m16.810s
sys 9m3.552s

元素種Oを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py O

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:09<00:00, 422.42it/s]
len(O_existed_poscar_file_path_list): 222650
O_existed-poscar file, and folder path list were saved as .npy!!!

real 12m25.888s
user 4m10.810s
sys 8m42.775s

元素種Ptを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py Pt

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [14:11<00:00, 361.95it/s]len(Pt_existed_poscar_file_path_list): 5849
Pt_existed-poscar file, and folder path list were saved as .npy!!!

real 14m25.649s
user 5m9.143s
sys 11m33.146s

======== 23-01-18追加 =======

元素種Pを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py P

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:28<00:00, 412.07it/s]
len(P_existed_poscar_file_path_list): 42026
P_existed-poscar file, and folder path list were saved as .npy!!!

real 12m45.123s
user 4m10.000s
sys 9m3.908s

元素種Alを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py Al

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:55<00:00, 397.80it/s]
len(Al_existed_poscar_file_path_list): 4201
Al_existed-poscar file, and folder path list were saved as .npy!!!

real 13m10.994s
user 4m20.308s
sys 9m52.993s

元素種Clを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py Cl

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:34<00:00, 408.66it/s]
len(Cl_existed_poscar_file_path_list): 56827
Cl_existed-poscar file, and folder path list were saved as .npy!!!

real 12m50.421s
user 4m2.644s
sys 8m41.624s

元素種Bを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py B

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:37<00:00, 407.05it/s]
len(B_existed_poscar_file_path_list): 21172
B_existed-poscar file, and folder path list were saved as .npy!!!

real 12m57.888s
user 4m21.934s
sys 9m3.844s

元素種Fを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py F

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [13:02<00:00, 393.97it/s]
len(F_existed_poscar_file_path_list): 37284
F_existed-poscar file, and folder path list were saved as .npy!!!

real 13m18.364s
user 4m19.200s
sys 9m1.845s

元素種Brを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py Br

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:40<00:00, 405.16it/s]
len(Br_existed_poscar_file_path_list): 19331
Br_existed-poscar file, and folder path list were saved as .npy!!!

real 12m59.299s
user 4m16.251s
sys 9m5.020s

元素種Sを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py S

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:49<00:00, 400.51it/s]
len(S_existed_poscar_file_path_list): 58573
S_existed-poscar file, and folder path list were saved as .npy!!!

real 13m9.952s
user 4m19.961s
sys 9m8.086s

元素種Iを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py I

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:53<00:00, 398.58it/s]
len(I_existed_poscar_file_path_list): 11324
I_existed-poscar file, and folder path list were saved as .npy!!!

real 13m9.635s
user 4m21.204s
sys 9m8.132s

元素種Mnを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py Mn

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:53<00:00, 398.40it/s]
len(Mn_existed_poscar_file_path_list): 6365
Mn_existed-poscar file, and folder path list were saved as .npy!!!

real 13m9.035s
user 4m17.716s
sys 9m17.883s

元素種Seを含むPOSCARファイルパス一覧を取得

    time python3 get_some_speceis_existed_poscar_path_list.py Se

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:54<00:00, 398.30it/s]
len(Se_existed_poscar_file_path_list): 5452
Se_existed-poscar file, and folder path list were saved as .npy!!!

real 13m12.817s
user 4m22.726s
sys 9m7.119s

======== 23-01-31追加 =======

元素種Pbを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.p
y Pb

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [14:35<00:00, 352.34it/s]
len(Pb_existed_poscar_file_path_list): 2700
Pb_existed-poscar file, and folder path list were saved as .npy!!!

real 14m44.637s
user 4m52.049s
sys 11m26.109s

元素種Tiを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py Ti

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [15:05<00:00, 340.35it/s]
len(Ti_existed_poscar_file_path_list): 3386
Ti_existed-poscar file, and folder path list were saved as .npy!!!

real 15m18.068s
user 5m7.094s
sys 12m31.834s

元素種Caを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py Ca

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [13:04<00:00, 393.25it/s]
len(Ca_existed_poscar_file_path_list): 2709
Ca_existed-poscar file, and folder path list were saved as .npy!!!

real 13m15.188s
user 4m22.737s
sys 9m27.982s

元素種Snを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py Sn

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [11:53<00:00, 432.34it/s]
len(Sn_existed_poscar_file_path_list): 4099
Sn_existed-poscar file, and folder path list were saved as .npy!!!

real 12m5.883s
user 3m57.083s
sys 8m13.961s

元素種Al, Clを含むPOSCARファイルパス一覧を取得

pwd
/mnt/ssd_elecom_c2c_960gb/scripts/get_some_speceis_existed_poscar_path_list

ls -CF
C_O_existed_poscar_file_path_list.npy*    P_H_existed_poscar_file_path_list.npy*    get_some_speceis_existed_poscar_path_list.py*
C_O_existed_poscar_folder_path_list.npy*  P_H_existed_poscar_folder_path_list.npy*  get_some_speceis_existed_poscar_path_list.py.sh*
N_H_existed_poscar_file_path_list.npy*    check_P_H.ipynb*                          poscar_existed_file_path_list.npy*
N_H_existed_poscar_folder_path_list.npy*  get_poscar_existed_path_list.py*          poscar_existed_folder_path_list.npy*
time python3 get_some_speceis_existed_poscar_path_list.py Al Cl

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:10<00:00, 422.13it/s]
len(Al_Cl_existed_poscar_file_path_list): 577
Al_Cl_existed-poscar file, and folder path list were saved as .npy!!!

real 12m20.160s
user 4m10.901s
sys 9m3.093s

Al_Cl_existed_poscar_file_path_list.npy*    N_H_existed_poscar_folder_path_list.npy*  get_some_speceis_existed_poscar_path_list.py*
Al_Cl_existed_poscar_folder_path_list.npy*  P_H_existed_poscar_file_path_list.npy*    get_some_speceis_existed_poscar_path_list.py.sh*
C_O_existed_poscar_file_path_list.npy*      P_H_existed_poscar_folder_path_list.npy*  poscar_existed_file_path_list.npy*
C_O_existed_poscar_folder_path_list.npy*    check_P_H.ipynb*                          poscar_existed_folder_path_list.npy*
N_H_existed_poscar_file_path_list.npy*      get_poscar_existed_path_list.py*

元素種B, Fを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py B F

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:50<00:00, 400.21it/s]
len(B_F_existed_poscar_file_path_list): 7284
B_F_existed-poscar file, and folder path list were saved as .npy!!!

real 12m59.377s
user 4m27.820s
sys 9m57.369s

元素種B, Hを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py B H

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:55<00:00, 397.67it/s]
len(B_H_existed_poscar_file_path_list): 19044
B_H_existed-poscar file, and folder path list were saved as .npy!!!

real 13m5.721s
user 4m36.213s
sys 10m8.884s

元素種Br, Oを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py Br O

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:55<00:00, 397.79it/s]
len(Br_O_existed_poscar_file_path_list): 12652
Br_O_existed-poscar file, and folder path list were saved as .npy!!!

real 13m4.917s
user 4m42.335s
sys 10m14.275s

元素種Cl, Oを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py Cl O

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:40<00:00, 405.62it/s]
len(Cl_O_existed_poscar_file_path_list): 37770
Cl_O_existed-poscar file, and folder path list were saved as .npy!!!

real 12m50.388s
user 4m30.274s
sys 9m46.036s

元素種C, Nを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py C N

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:08<00:00, 423.00it/s]
len(C_N_existed_poscar_file_path_list): 211270
C_N_existed-poscar file, and folder path list were saved as .npy!!!

real 12m24.942s
user 4m4.089s
sys 9m4.191s

元素種C, N, Sを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py C N S

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:17<00:00, 417.87it/s]
len(C_N_S_existed_poscar_file_path_list): 43026
C_N_S_existed-poscar file, and folder path list were saved as .npy!!!

real 12m27.447s
user 4m17.060s
sys 8m53.484s

元素種I, Oを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py I O

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:05<00:00, 424.88it/s]
len(I_O_existed_poscar_file_path_list): 5599
I_O_existed-poscar file, and folder path list were saved as .npy!!!

real 12m15.170s
user 4m7.579s
sys 8m59.340s

元素種N, Oを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py N O

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:10<00:00, 422.35it/s]
len(N_O_existed_poscar_file_path_list): 160297
N_O_existed-poscar file, and folder path list were saved as .npy!!!

real 12m21.709s
user 4m11.076s
sys 8m51.278s

元素種Mn, Oを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py Mn O

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:24<00:00, 414.15it/s]
len(Mn_O_existed_poscar_file_path_list): 5028
Mn_O_existed-poscar file, and folder path list were saved as .npy!!!

real 12m34.743s
user 4m18.690s
sys 9m5.578s

元素種O, Hを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py O H

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:15<00:00, 419.07it/s]
len(O_H_existed_poscar_file_path_list): 207029
O_H_existed-poscar file, and folder path list were saved as .npy!!!

real 12m29.922s
user 4m14.373s
sys 8m53.753s

元素種S, Oを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py S O

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:19<00:00, 416.94it/s]
len(S_O_existed_poscar_file_path_list): 42415
S_O_existed-poscar file, and folder path list were saved as .npy!!!

real 12m29.428s
user 4m20.581s
sys 8m52.451s

元素種Se, Oを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py Se O

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:16<00:00, 418.62it/s]
len(Se_O_existed_poscar_file_path_list): 2224
Se_O_existed-poscar file, and folder path list were saved as .npy!!!

real 12m25.649s
user 4m13.716s
sys 8m56.308s

元素種Pt, Fを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py Pt F

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [11:49<00:00, 434.85it/s]
len(Pt_F_existed_poscar_file_path_list): 1085
Pt_F_existed-poscar file, and folder path list were saved as .npy!!!

real 11m57.070s
user 4m10.562s
sys 9m21.459s

元素種Pt, Clを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py Pt Cl

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [13:39<00:00, 376.46it/s]
len(Pt_Cl_existed_poscar_file_path_list): 2226
Pt_Cl_existed-poscar file, and folder path list were saved as .npy!!!

real 13m47.122s
user 5m5.575s
sys 11m33.210s

元素種Pt, Brを含むPOSCARファイルパス一覧を取得

 time python3 get_some_speceis_existed_poscar_path_list.py Pt Br

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:45<00:00, 403.01it/s]len(Pt_Br_existed_poscar_file_path_list): 381
Pt_Br_existed-poscar file, and folder path list were saved as .npy!!!

real 12m53.846s
user 4m29.187s
sys 9m55.242s

元素種Pt, Iを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py Pt I

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:43<00:00, 403.91it/s]len(Pt_I_existed_poscar_file_path_list): 340
Pt_I_existed-poscar file, and folder path list were saved as .npy!!!

real 12m51.923s
user 4m29.647s
sys 9m41.339s

元素種Pb, C, N, Hを含むPOSCARファイルパス一覧を取得

time python3 get_some_speceis_existed_poscar_path_list.py Pb C N H
len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [13:11<00:00, 389.62it/s]
len(Pb_C_N_H_existed_poscar_file_path_list): 1339
Pb_C_N_H_existed-poscar file, and folder path list were saved as .npy!!!

real 13m22.026s
user 4m24.338s
sys 9m44.439s

  • Pb, C, N, H, I
time python3 get_some_speceis_existed_poscar_path_list.py Pb C N H I

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:00<00:00, 428.04it/s]len(Pb_C_N_H_I_existed_poscar_file_path_list): 345
Pb_C_N_H_I_existed-poscar file, and folder path list were saved as .npy!!!

real 12m12.471s
user 3m57.049s
sys 8m31.497s

  • Pb, C, N, H, Br
time python3 get_some_speceis_existed_poscar_path_list.py Pb C N H Br

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:39<00:00, 406.08it/s]
len(Pb_C_N_H_Br_existed_poscar_file_path_list): 232
Pb_C_N_H_Br_existed-poscar file, and folder path list were saved as .npy!!!

real 12m49.271s
user 4m15.325s
sys 9m16.031s

  • Pb, C, N, H, Cl
time python3 get_some_speceis_existed_poscar_path_list.py Pb C N H Cl

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:31<00:00, 410.54it/s]
len(Pb_C_N_H_Cl_existed_poscar_file_path_list): 200
Pb_C_N_H_Cl_existed-poscar file, and folder path list were saved as .npy!!!

real 12m41.359s
user 4m12.671s
sys 9m5.597s

  • Sn, C, N, H
time python3 get_some_speceis_existed_poscar_path_list.py Sn C N H

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:14<00:00, 420.00it/s]
len(Sn_C_N_H_existed_poscar_file_path_list): 1802
Sn_C_N_H_existed-poscar file, and folder path list were saved as .npy!!!

real 12m24.467s
user 3m56.717s
sys 8m23.772s

  • Sn, C, N, H, I
time python3 get_some_speceis_existed_poscar_path_list.py Sn C N H I

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [11:36<00:00, 442.86it/s]
len(Sn_C_N_H_I_existed_poscar_file_path_list): 82
Sn_C_N_H_I_existed-poscar file, and folder path list were saved as .npy!!!

real 11m46.733s
user 4m2.902s
sys 9m2.794s

  • Sn, C, N, H, Br
time python3 get_some_speceis_existed_poscar_path_list.py Sn C N H Br

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:59<00:00, 395.37it/s]
len(Sn_C_N_H_Br_existed_poscar_file_path_list): 79
Sn_C_N_H_Br_existed-poscar file, and folder path list were saved as .npy!!!

real 13m9.350s
user 4m4.047s
sys 8m40.825s

  • Sn, C, N, H, Cl
time python3 get_some_speceis_existed_poscar_path_list.py Sn C N H Cl

len(poscar_abs_path_list_loaded): 308325
100%|███████████████████████████████████████████████████████████████████████████████████████████████████████████████| 308325/308325 [12:22<00:00, 415.02it/s]
len(Sn_C_N_H_Cl_existed_poscar_file_path_list): 531
Sn_C_N_H_Cl_existed-poscar file, and folder path list were saved as .npy!!!

real 12m33.072s
user 4m15.923s
sys 8m55.296s

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