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GHlacour
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NISE_2017
This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2DIR, 2DES, 2DSFG, and F-2DES).
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Added MCFRET and CG-2DES
#44
GHlacour
closed
2 months ago
0
Problem in diagnoalising rate matrix in MCFRET analysis
#43
yieonpark
opened
4 months ago
1
Warning -final value of rate response is too high
#42
yieonpark
opened
4 months ago
1
48 correlation function average not always fully subtracted
#41
GHlacour
closed
5 months ago
0
Optimized propagation schemes replasing calloc with malloc.
#40
GHlacour
closed
10 months ago
0
Improved parallelisation and added various features
#39
GHlacour
closed
10 months ago
0
Update Manual
#38
GHlacour
closed
1 year ago
0
Pl
#37
GHlacour
closed
1 year ago
0
Coupling
#36
GHlacour
closed
1 year ago
0
Included the Raman+2DIRRaman codes
#35
GHlacour
closed
1 year ago
0
Bug not reading Coupling HamiltonianType in Analysis fixed
#34
GHlacour
closed
1 year ago
0
Added Coupling Hamiltonian type to Analyse technique #4 and spectral …
#33
GHlacour
closed
1 year ago
1
Updating development branch to match master
#32
GHlacour
closed
1 year ago
0
Projection feature2
#31
GHlacour
closed
1 year ago
0
Added change in anisotropy.c
#30
GHlacour
closed
2 years ago
0
Develop - included periodic boundary conditions use in couplings on the fly
#29
GHlacour
closed
2 years ago
0
Update NISE_subs.c
#28
GHlacour
closed
2 years ago
0
Bugfix
#27
GHlacour
closed
2 years ago
0
Bugfix
#26
GHlacour
closed
2 years ago
0
Bugfix
#25
GHlacour
closed
2 years ago
0
Bugfix
#24
GHlacour
closed
2 years ago
0
Bugfix - removed obsolete absorption code and fixed Endpoint issue
#23
GHlacour
closed
2 years ago
1
Bugfix
#22
GHlacour
closed
2 years ago
1
Include the addition of additional features for hamiltonian analysis
#21
GHlacour
closed
3 years ago
0
Fixed error message when asking for Coupling propagation in Populatio…
#20
GHlacour
closed
3 years ago
0
Added check for duplicate/non-integer numbers in projection part
#19
GHlacour
closed
3 years ago
0
Diffusion
#18
GHlacour
closed
3 years ago
0
Fix bug with new CMake version
#17
PJvanVliet
closed
3 years ago
0
New CMake version
#16
GHlacour
closed
3 years ago
0
Diffusion
#15
GHlacour
closed
3 years ago
0
Coupling
#14
GHlacour
closed
3 years ago
0
Analysis fluctuation of couplings
#13
GHlacour
closed
3 years ago
2
Included linear dichroism code
#12
GHlacour
closed
3 years ago
0
Dos
#11
GHlacour
closed
3 years ago
0
Translate does not report error if the file format string is incorrect
#10
GHlacour
opened
4 years ago
0
Added full Hamiltonian avaraging to Analysis part
#9
GHlacour
closed
4 years ago
0
Streamlined t2 propagation for 2DIR and 2DES
#8
GHlacour
closed
4 years ago
0
Moved back to old t2 propagation
#7
GHlacour
closed
4 years ago
0
Updated t2 propagation implementation
#6
GHlacour
closed
4 years ago
0
Added LD files to git
#5
GHlacour
closed
4 years ago
0
Version 3.3 upgrade
#4
GHlacour
closed
4 years ago
0
Updated the development version with manual changes
#3
GHlacour
closed
4 years ago
0
MPI dev
#2
GHlacour
closed
4 years ago
0
Taking in MPI implementation
#1
GHlacour
closed
4 years ago
0