ED Software - Browse /LAMPA/source_code at SourceForge.net

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Name	Modified	Size	InfoDownloads / Week
Parent folder
main.cpp	2016-11-22	3.1 kB	0
nummath.h	2016-11-22	5.2 kB	0
functional.h	2016-11-22	29.4 kB	0
hamiltonian.h	2016-11-22	33.4 kB	0
do.sh	2016-11-22	59 Bytes	0
Totals: 5 Items		71.2 kB	0

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

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