this is for holding javascript data
David Koes edited paragraph_textit_Ab_initio_Calcuation__.tex
about 8 years ago
Commit id: b4f02880baee4ffd45308f8a64d256cc98ad5386
deletions | additions
diff --git a/paragraph_textit_Ab_initio_Calcuation__.tex b/paragraph_textit_Ab_initio_Calcuation__.tex
index f48aee7..7c78223 100644
--- a/paragraph_textit_Ab_initio_Calcuation__.tex
+++ b/paragraph_textit_Ab_initio_Calcuation__.tex
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ccwatcher provides a graphical interface for the monitoring of computational chemistry programs.
Gabedit \cite{Allouche_2010} is a graphical user interface to a large number of quantum chemistry packages. It can create input files and graphically visualize calculation results.
QMForge provides a graphical user interface for analyzing and visualizing results of quantum chemistry DFT calculations (Gaussian, ADF, GAMESS, Jaguar, NWChem, ORCA, QChem). Analyses include a number of population analyses, Mayer's bond order, charge decomposition, and fragment analysis.