FBB3110 Computational Python 5.0 credits

Python för beräkningsvetenskaper

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Offering and execution

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Course information

Content and learning outcomes

Course contents *

There will be five meetings with the following content

1. Basics of python and its relation to perl and awk

2.  Numerical python (numpy)

3.  Interfaces with Fortan and C

4.   GUI programming

5.    Data handling

Intended learning outcomes *

After having completed the course the student will be able to use python scripts for tasks involving

· numerical problems using object orientational principles,advanced datastructures, classes and overloading operators

· scripts for parameter studies with external software

·                    subtract information from unformatted data files

·                    interfaces with numerical packages blas and lapack

·                    interfaces with compiled languages

·                    graphical interfaces

Course Disposition

This is course will consist of highly interactive seminars, which depend on the active participations of the students, including completed assignments for each meeting.

Literature and preparations

Specific prerequisites *

Basis UNIX skills

Recommended prerequisites

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Equipment

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Literature

Lecture notes.

Hans-Petter Langtangen: Python scripting in computational science, 3rd edition (2007)

Examination and completion

Grading scale *

P, F

Examination *

    Based on recommendation from KTH’s coordinator for disabilities, the examiner will decide how to adapt an examination for students with documented disability.

    The examiner may apply another examination format when re-examining individual students.

    Other requirements for final grade *

    To pass the course the student has prepare assignments for each meeting and be present at least 4 of 5 meetings. A missed meeting must be completed with an extra assignment.

    There will be a final assignment where the student should write a report describing how scripting has been used (or may be used) in relation to his/her own field of research. The report (1-2 pages)  is to be submitted to the BILDA

    platform before a predefined date. The second part of the task is to write comments to a report assigned by the teacher written by another student also to be submitted to BILDA. In the final examination meeting the reports and comments will be discussed orally.

    Opportunity to complete the requirements via supplementary examination

    No information inserted

    Opportunity to raise an approved grade via renewed examination

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    Examiner

    Olav Vahtras

    Further information

    Course web

    Further information about the course can be found on the Course web at the link below. Information on the Course web will later be moved to this site.

    Course web FBB3110

    Offered by

    CBH/Theoretical Chemistry and Biology

    Main field of study *

    No information inserted

    Education cycle *

    Third cycle

    Add-on studies

    No information inserted

    Contact

    Olav Vahtras, vahtras@kth.se, +46 8 55378415

    Ethical approach *

    • All members of a group are responsible for the group's work.
    • In any assessment, every student shall honestly disclose any help received and sources used.
    • In an oral assessment, every student shall be able to present and answer questions about the entire assignment and solution.

    Supplementary information

    Target audience: PhD student of coputational sciences

    Number of students: 20

    Postgraduate course

    Postgraduate courses at CBH/Theoretical Chemistry and Biology