NBO Analyzer Code

Analyze output of NBO computations

Status: Planning

Brought to you by: latruelle

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History

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File	Date	Author	Commit
.hgignore	2013-12-05	Emmanuel Nicolas	[d3dd86] .hgignore added
NBO_Analyser.pro	2014-03-15	Emmanuel Nicolas	[50c340] Added Parser
atom.cpp	2014-03-23	Emmanuel Nicolas	[43ed1b] Solved Problem
atom.h	2013-12-26	Emmanuel Nicolas	[864151] Switch to QSharedDatapointer for atom class fin...
fileparser.cpp	2014-03-26	Emmanuel Nicolas	[d33eb1] Template for Analysis of NBO table started
fileparser.h	2014-03-18	Emmanuel Nicolas	[02a2ad] Parser Advanced Quite a lot
main.cpp	2013-11-22	Emmanuel Nicolas	[4d61ae] Started a couple of classes:
molecule.cpp	2014-03-22	Emmanuel Nicolas	[340afd] Added testing functions for Molecule class
molecule.h	2014-03-20	Emmanuel Nicolas	[800ac8] Ameliorated parser
naturalatomicorbital.cpp	2013-12-01	Emmanuel Nicolas	[de756f] Continued Coding
naturalatomicorbital.h	2013-12-01	Emmanuel Nicolas	[de756f] Continued Coding
naturalbondingorbital.cpp	2013-12-26	Emmanuel Nicolas	[864151] Switch to QSharedDatapointer for atom class fin...
naturalbondingorbital.h	2013-12-26	Emmanuel Nicolas	[a94a3c] Started Integration of everything in Molecule c...
nbo_analyser.cpp	2014-03-24	Emmanuel Nicolas	[81020f] Started NBO Parser
nbo_analyser.h	2014-03-18	Emmanuel Nicolas	[02a2ad] Parser Advanced Quite a lot
nbo_analyser.ui	2013-11-22	Emmanuel Nicolas	[4d61ae] Started a couple of classes: