trovemaster Goto Github PK
Name: Sergey Yurchenko
Type: User
Company: University College London
Location: London
Sergey Yurchenko's Projects
abtoc
RENNER to MORBID intensities for a triatomic
bib
BibTex library of ExoMol
ch3-ir
CH3-IR paper
curvitrove
Curevlinear version of TROVE extended by Andrey Yachmenev
diag
duo
Duo is a diatomic code for solving a fully coupled rovibronic Schroedinger equation
everest_fit
Refinement of PESs using EVEREST energies
exocross
Fortran 2003 code to generate molecular spectra, partition functions, lifetimes, cooling functions etc using ExoMol line lists
exocross-examples
A set of examples for ExoCross
fitpes_xy2
Fortran code to fit XY2 PESs
github.io
TROVE Website
linenlist_trove
Convert TROVE line lists to the ExoMol format
metaphors
Using wordnet and python to buid metaphors
nh3_dms_jcp_2005
An ATVZ DMS of NH3 from J.Chem.Phys. 122, 104317 (2005).
pdsyev
Diag_PDSYEV is a benchmark code for diagonalising a symmetri dense real random valued matrix
sfit_dvr3d
SFIT_DVR3D
trove
Theoretical ROVibrational Energies: A variational program for accurate nuclear motion calculations
trove-benchmarks
A set of input and output files for benchmarking the TROVE calculations
trove-tutorial
TROVE documentations
trovemaster.github.io
Website
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