|
.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:
|
