GitHub - Xuanhao-chang/nwchem-wiki: NWChem Documentation

Branches Tags

Name		Name	Last commit message	Last commit date
Latest commit History 4,358 Commits
.github/workflows		.github/workflows
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