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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
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