What is QuMuLuS++?

QuMuLuS++ is an open source quantum chemical program, i. e., a program for the computation of molecular properties with quantum chemical models.

How do I obtain a copy of the code?

hg clone http://hg.code.sf.net/p/qumulus/code qumulus-code

How do I install the code?

Installing the code for the first time, follow the description given in the INSTALL file in the source directory.

How do I update the code?

The code is updated regularly. For how to update and re-compile the code, please refer to the INSTALL file in the source directory.

Enjoy

Features

  • Hartree-Fock
  • Density Functional Theory
  • Moeller-Plesset
  • Configuration Interaction
  • Various SCF related algorithms
  • Computation of molecular properties
  • Others...
  • See the manual at http://www.akhw.at/qumulus++/manual.html

Project Samples

QuMuLuS++ Screenshot 1

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Additional Project Details

Registered

2016-01-05
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