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mantidproject / mantid

Main repository for Mantid code
https://www.mantidproject.org
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[Indirect] Port DOS script to Mantid #9431

Closed mantid-builder closed 9 years ago

mantid-builder commented 10 years ago

Original Reporter: Samuel Jackson

Request from Sanghamitra. She has a perl script that reads .phonon and .castep files and calculates the density of states, ir and raman intensities and does some plotting. The aim of this ticket is to bring this loading functionality within Mantid.

mantid-builder commented 9 years ago

This issue was originally trac ticket 8587

mantid-builder commented 9 years ago

http://trac.mantidproject.org/mantid/raw-attachment/ticket/8587/dos.pl (uploaded by Samuel Jackson on 2013-12-10T14:38:56)

http://trac.mantidproject.org/mantid/raw-attachment/ticket/8587/squaricn.castep (uploaded by Samuel Jackson on 2013-12-10T14:39:11)

http://trac.mantidproject.org/mantid/raw-attachment/ticket/8587/squaricn.phonon (uploaded by Samuel Jackson on 2013-12-10T14:39:19)

http://trac.mantidproject.org/mantid/raw-attachment/ticket/8587/ref.py (uploaded by Samuel Jackson on 2014-01-27T15:13:45)