GitHub - drmperez/nwchem-wiki: NWChem Documentation

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Name		Name	Last commit message	Last commit date
Latest commit History 4,361 Commits
.github		.github
assets		assets
benchmarks		benchmarks
css		css
images		images
mkdocs		mkdocs
stylesheets		stylesheets
svgs		svgs
tut2019		tut2019
tutorial2018		tutorial2018
tutorial_athens2018		tutorial_athens2018
tutorial_singapore2012		tutorial_singapore2012
.travis.yml		.travis.yml
1D-RISM.md		1D-RISM.md
400px-Hcn-hnc-dft.png		400px-Hcn-hnc-dft.png
ARMCI.md		ARMCI.md
Aba2.md		Aba2.md
Abm2.md		Abm2.md
Ama2.md		Ama2.md
Amm2.md		Amm2.md
Analysis.md		Analysis.md
Archived-Forum.md		Archived-Forum.md
Arrowsoutputimage001.png		Arrowsoutputimage001.png
AvailableBasisSets.md		AvailableBasisSets.md
BSE_NWChem_selection.png		BSE_NWChem_selection.png
Basis.md		Basis.md
Benchmarks.md		Benchmarks.md
Bq.md		Bq.md
Brucite-small.jpg		Brucite-small.jpg
Bylaska-Figure3.PNG		Bylaska-Figure3.PNG
Bylaska-Figure3.webp		Bylaska-Figure3.webp
Bylaska-Figure3_org.PNG		Bylaska-Figure3_org.PNG
C2.md		C2.md
C222.md		C222.md
C222_1.md		C222_1.md
C2Sc.md		C2Sc.md
C2Sm.md		C2Sm.md
CCCA_method.md		CCCA_method.md
CCSD.md		CCSD.md
COSMO-Solvation-Model.md		COSMO-Solvation-Model.md
CTF.png		CTF.png
Capabilities.md		Capabilities.md
Cartesian-coordinate-input.md		Cartesian-coordinate-input.md
Cc.md		Cc.md
Ccc2.md		Ccc2.md
Ccca.md		Ccca.md
Cccm.md		Cccm.md
Charge.md		Charge.md
Citation.md		Citation.md
Classical-Methods.md		Classical-Methods.md
Cm.md		Cm.md
Cmc2_1.md		Cmc2_1.md
Cmca.md		Cmca.md
Cmcm.md		Cmcm.md
Cmm2.md		Cmm2.md
Cmma.md		Cmma.md
Cmmm.md		Cmmm.md
Code_generation_workflow.jpg		Code_generation_workflow.jpg
Compiling-NWChem.md		Compiling-NWChem.md
Constraints.md		Constraints.md
Containers.md		Containers.md
Current_events.md		Current_events.md
DNTMC.md		DNTMC.md
DPLOT.md		DPLOT.md
Density-Functional-Theory-for-Molecules.md		Density-Functional-Theory-for-Molecules.md
Developer.md		Developer.md
Developer_Team.md		Developer_Team.md
Download.md		Download.md
ECCE_PRINT.md		ECCE_PRINT.md
ECHO.md		ECHO.md
ECP.md		ECP.md
EMSL_Arrows.md		EMSL_Arrows.md
EMSL_light.svg		EMSL_light.svg
EMSL_light_60pct.svg		EMSL_light_60pct.svg
EPR-pNMR.md		EPR-pNMR.md
EPR-pNMR.pdf		EPR-pNMR.pdf
ESP.md		ESP.md
Electron-Transfer.md		Electron-Transfer.md
Electronic-Structure-Analysis.md		Electronic-Structure-Analysis.md
Examples.md		Examples.md
Excited-State-Calculations.md		Excited-State-Calculations.md
F-43c.md		F-43c.md
F-43m.md		F-43m.md
F222.md		F222.md
F23.md		F23.md
F432.md		F432.md
F4_132.md		F4_132.md
FAQ.md		FAQ.md
FCIDUMP.md		FCIDUMP.md
Fd-3.md		Fd-3.md
Fd-3c.md		Fd-3c.md
Fd-3m.md		Fd-3m.md
Fdd2.md		Fdd2.md
Fddd.md		Fddd.md
Fm-3.md		Fm-3.md
Fm-3c.md		Fm-3c.md
Fm-3m.md		Fm-3m.md
Fmm2.md		Fmm2.md
Fmmm.md		Fmmm.md
Format_of_MD_Files.md		Format_of_MD_Files.md