I have 11 directories with around 200 files in each. In each directory the files are labeled out.0 through out.201 . Each file has around 118 numbers in a single column. I need to sum the files in each directory so each directory will have a resultant vector that is 118 numbers long. I then... (5 Replies)
Hi all,
I have a requirement where i have to read multiple files using Shell Script in Korn Shell.
each file will have the 3rd line as the amount field, i have to read this amount field and sum it for all the files.
any idea on how to achieve this?? (i think i can achieve it using a loop,... (9 Replies)
Hi.. I'm very newbie here..
I wonder if somebody can help me..
I have multiple directories with same out file name for each directories..
./dirA/out.dat
./dirB/out.dat
./dirC/out.dat
..and so on..
for ./dirA/out.dat here is the structure content :
for ./dirB/out.dat the same... (4 Replies)
Hi,
I want to count the number of occurrences of numbers from a file of 6,000,000 lines. Because its too large, I decided to split the counts up in multiple files. So I have files of the counts of 5,000 lines. Now I want to add up the counts of all those files.
The "counts file" looks like... (9 Replies)
Hello again guru’s (big apologies for wall of text)
Still working on that DNS updater for my production team and while there is a ton of hit in searches i can't seem to find the answer to this.
Context:
We have apps that switch from let’s say host1 to host2. REAL basic DNS clustering... (5 Replies)
I have a file (let say file B) like this:
File B:
A1 3 5
A1 7 9
A2 2 5
A3 1 3
The first column defines a filename and the other two define a range in that specific file. In the same directory, I have also three more files (File A1, A2 and A3). Here is 10 sample lines... (3 Replies)
i have multiple files with Batch Header, Record detail & Batch trailer data in the files like :
BH 20150225950050N8262
RD 20140918000000 99999999 unk Deferred Settlement -13950
BT01 -13950
*Above sample data donot have the spaces coorectly defined. I do have multiple batch trailer... (1 Reply)
Hi All,
need help with reading the array and sum of the array elements.
given an array of integers of size N . You need to print the sum of the elements in the array, keeping in mind that some of those integers may be quite large.
Input Format
The first line of the input consists of an... (1 Reply)
I want to count the number of lines, I need this result be a number, and sum the last numeric column, I had done to make this one at time, but I need to make this for a crontab, so, it has to be an script, here is my lines:
It counts the number of lines:
egrep -i String file_name_201611* |... (5 Replies)
Discussion started by: Elly
5 Replies
LEARN ABOUT CENTOS
geom
geom(1)geom(1)NAME
geom - analyzes a molecular geometry input in Cartesian coordinates.
DESCRIPTION
The program geom reads a set of Cartesian coordinates and determines from them the bond distances (Bohr and angstrom), bond angles, tor-
sional angles, out-of-plane angles (optional), moments of inertia, and rotational constants.
FILES REQUIRED
input.dat - Input file
and one of the following:
geom.dat - geometry file
file11.dat - PSI-format geometry/gradient file
FILES GENERATED
geom.out - file containing the analysis
INPUT OPTIONS
The geom program has the following options:
-h Print help information (these options).
-aces [filename]
Read the input in an ACES output format, with each line consisting of atomic symbol, atomic number, and Cartesian coordinates (in
Bohr). The optional argument is the name of the geometry input file, which defaults to geom.dat.
-qchem [filename]
Read the input in an QCHEM output format, with each line consisting of the atom number, the atomic symbol, and Cartesian coordinates
(in Angstroms). The optional argument is the name of the geometry input file, which defaults to geom.dat.
-xyz [filename]
Read the input in an XYZ output format. The first line contains the number of atoms and the second line is a comment line. Subse-
quent lines each contain the atomic symbol and Cartesian X Y and Z coordinates (in Angstroms). The optional argument is the name of
the geometry input file, which defaults to geom.dat.
-oop Print out-of-plane angles, where the angle a-b-c-d is defined as the angle formed by the vector a-d and the plane defined by atoms
b, c, and d.
DO_OOP = boolean
Same as command-line switch -oop described above.
ISOTOPES = matrix of reals/strings
Used to specify masses to be used in the calculation of the center of mass and rotational constants. One array is provided for each
isotopomer to be calculated. The arrays can mix floating point numbers with strings which designate isotopes. If this array is not
given and file11.dat is present, then the masses will be obtained by converting the atomic numbers in file11. If masses are not
given by ISOTOPES or by file11, then no mass-related quantities will be calculated.
-g [filename]
Read Cartesian coordinates from a file other than file11.dat. If a filename is not given, the default is geom.dat. The alternative
file is assumed to be in a format similar to that of PSI's geom.dat. Since such files do not contain atomic numbers, the moments of
inertia and rotational constants are not calculated if this option is used.
READ_GEOM = boolean
This option in input.dat tells geom to read the geometry from geom.dat in the PSI geom.dat format.
-a Print parameters for all pair distances.
PRINT_ALL_DIST = boolean
Same as -a flag described above.
-d distance
Only print parameters involving pairs of atoms which are less than distance bohr apart (default value is 4.0 bohr).
PRINT_DISTANCE = value
Same as -d flag described above.
-angstrom
The input coordinates are in angstroms, not bohr.
ANGSTROM = boolean
If TRUE, the input coordinates are in angstroms instead of bohr. The default is FALSE.
The following example is for calculating the geometrical information for water with several different isotopes. The geometry is
read from geom.dat rather than from file11.dat.
geom: (
read_geom = true
isotopes = (
(O H H)
(O D D)
(O18 1.007825 1.007825)
) )
5 June, 1998 geom(1)