RMGDFT Files

Real Space Multigrid based electronic structure code.

Brought to you by: bernholc, elbriggs, luw, mirohodak, yli26

The interactive file manager requires Javascript. Please enable it or use sftp or scp.
You may still browse the files here.

Name	Modified	Size	InfoDownloads / Week
Parent folder
README	2014-11-18	209 Bytes	0
in.c60potential_acc.log.00	2014-11-18	55.6 kB	0
in.c60potential_acc.rmsdv.png	2014-11-18	23.9 kB	0
in.c60potential_acc	2014-11-18	3.2 kB	0
Totals: 4 Items		82.9 kB	0

Example calculation for a C60 molecule using potential acceleration. This example
was generated on a Xeon workstation running Opensuse 13.1 using the following
command.

mpirun -np 6 ./rmg in.c60potential_acc

Source: README, updated 2014-11-18

Other Useful Business Software

Gen AI apps are built with MongoDB Atlas

Build gen AI apps with an all-in-one modern database: MongoDB Atlas

MongoDB Atlas provides built-in vector search and a flexible document model so developers can build, scale, and run gen AI apps without stitching together multiple databases. From LLM integration to semantic search, Atlas simplifies your AI architecture—and it’s free to get started.

Start Free

Our Free Plans just got better! | Auth0

With up to 25k MAUs and unlimited Okta connections, our Free Plan lets you focus on what you do best—building great apps.

You asked, we delivered! Auth0 is excited to expand our Free and Paid plans to include more options so you can focus on building, deploying, and scaling applications without having to worry about your security. Auth0 now, thank yourself later.

Try free now

Recommended Projects

LyXWinInstaller
An installer that installs LyX and a complete LaTeX-environment
PUPIL
PUPIL (Program for User Package Interface and Linking), is a software environment that allows developers to link quickly and efficiently together multiple pieces of software in a fully automated multi-scale simulation. More specifically, it supports QM/MM MD simulations where the user might choose among any of the different MD engines and QM engines, which are connected to PUPIL as external programs through a tiny specific interface. One of the main advantages here is that the user can use most of the functionalities that may have those external programs interfaced without the necessity to be reimplemented again on independent interfaces. In fact, this simulation interface concentrates all the common code involved in the coupling terms of the QM/MM approach.
pyquante
PyQuante (Python Quantum Chemistry) is an open-source package for quantum chemistry programming written in Python, Numerical Python, and C.
CMSSW
CMS Offline Software

RMGDFT Files

Real Space Multigrid based electronic structure code.

Get an email when there's a new version of RMGDFT