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[½»Á÷] Daltonа汾·¢²¼ÁË£¬Dalton2011 Programs ÒÑÓÐ2È˲ÎÓë

Daltonа汾·¢²¼ÁË£¬Dalton2011 Programs
http://dirac.chem.sdu.dk/daltonp ... tml#LSSCFProperties
The Dalton2011 suite consists of two separate executables, DALTON and LSDALTON. The DALTON code is a powerful tool for a wide range of molecular properties at different levels of theory, whereas LSDALTON is a linear-scaling HF and DFT code suitable for large molecular systems.

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Available platforms
DALTON has been tested on the following platforms:

Linux
darwin (Mac OS X)
IBM-AIX
Windows-cygwin
DALTON has been tested with the following compilers (not all compilers on all systems):

Tested with 32-bit and 64-bit integers with gfortran/gcc, ifort/icc, g95/gcc, xlf/xlc compilers.
Tested with openMPI for parallel version.
We expect DALTON to run correctly on other UNIX platforms and with other UNIX based Fortran 90 compilers, but it is not possible for the authors to verify this in advance. The users are encouraged to report any problems with installation, compilation or execution of a Dalton2011 program to "dalton-admin at kjemi uio no". The authors will try to help make the code run correctly, if sufficient information about the system and the test calculations is provided.

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[ Last edited by wuy069 on 2011-7-21 at 17:23 ]
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