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Home / LAMPA
Name Modified Size InfoDownloads / Week
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LAMPA-IntRoVer.ta 2017-08-07
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example 2016-11-22
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executable_linux 2016-11-22
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source_code 2016-11-22
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README.txt 2016-11-22 818 Bytes
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Totals: 5 Items   818 Bytes 1 
LAMPA v0.1i
(Large Amplitude Motion Potential surface Analyzer)

This programm is developed for the solution of direct and inverse vibrational spectroscopy problems
for large amplitude motions. The inverse problem is solved via scaling of the given potential energy surface.

The "source_code" folder contains code files:
  1. main.cpp
  2. hamiltonian.h
  3. functional.h
  4. nummath.h
and an shell-script, that contains the compillation command.

The "example" folder contains the file "nb_inverse.inp" that is an example of an input file.
The two output files are also presented.


Note! This programm uses LAPACK!!!!!

Also, the class for cubic spline was taken from Russian Wikipedia:
https://ru.wikipedia.org/wiki/%D0%9A%D1%83%D0%B1%D0%B8%D1%87%D0%B5%D1%81%D0%BA%D0%B8%D0%B9_%D1%81%D0%BF%D0%BB%D0%B0%D0%B9%D0%BD
Source: README.txt, updated 2016-11-22