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Full Discussion: Select only the last line from the pattern
Top Forums Shell Programming and Scripting Select only the last line from the pattern Post 302682105 by hmartine1983 on Sunday 5th of August 2012 02:39:12 PM
Old 08-05-2012
Basically I would just need to create one script for each of the following outputs. Thanks a million for the help, it is really useful for me

output 1 (Last energy):
Code:
SCF Done:  E(RB3LYP) =  -234.626900695     A.U. after    7 cycles

output 2 (-1 and -2 energies):
Code:
 SCF Done:  E(RB3LYP) =  -234.626899214     A.U. after    8 cycles
 SCF Done:  E(RB3LYP) =  -234.626900474     A.U. after    8 cycles

Output 3 (Last "input orientation"):
Input orientation:

Code:
      1          6           0       -0.399347   -5.262276    0.924477
      2          1           0        0.036285   -6.254346    0.851459
      3          1           0       -1.018756   -5.065127    1.796487
      4          6           0       -0.191339   -4.333337   -0.008437
      5          1           0        0.440298   -4.576219   -0.864753
      6          6           0       -0.747870   -2.936770    0.017425
      7          1           0       -1.402957   -2.809077    0.886816
      8          1           0       -1.372645   -2.775463   -0.873590
      9          6           0        0.357075   -1.853859    0.042264
     10          1           0        1.026052   -2.019980   -0.815204
     11          1           0        0.967516   -1.976710    0.944220
     12          6           0       -0.196861   -0.457411   -0.019460
     13          1           0       -0.788822   -0.220813   -0.905375
     14          6           0       -0.030242    0.478629    0.914665
     15          1           0        0.549025    0.287676    1.815162
     16          1           0       -0.460889    1.470485    0.814332

Moderator's Comments:
Mod Comment Please view this code tag video for how to use code tags when posting code and data.
Last edited by bakunin; 08-05-2012 at 04:05 PM..
 

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