source: ThirdParty/mpqc_open/doc/overview.dox@ 482400e

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1
2/** \page overview Overview
3
4The Scientific Computing toolkit (SC) provides C++ class libraries for
5scientific computation. Included are classes for managing memory, saving
6and restoring the state of objects, reading objects from an input file,
7parallel communication, matrix algebra, among others.
8
9Class libraries supporting quantum chemistry applications are provided with
10the full distribution of SC. Also included is the Massively Parallel
11Quantum Chemistry program (MPQC) which is built upon these libraries.
12
13MPQC and SC are works-in-progress. They are experimental codes that are
14used to apply new computational approaches to problems in scientific
15programming in general and, in particular, to quantum chemistry. Thus,
16this manual is incomplete. Furthermore, some of the classes in the
17distribution may be on the verge of obsolescence and others may be
18unfinished work that are intended to provide new functionality in later
19releases.
20
21The development of SC has been driven by the development of the Massively
22Parallel Quantum Chemistry (MPQC) program. While, currently, MPQC and SC
23are distributed together, the SC code is problem-domain independent. For
24example, the utility classes provided in src/lib/util do not require the
25code in src/lib/math or src/lib/chemistry and the src/lib/math classes do
26not require src/lib/chemistry.
27
28MPQC and SC run on Unix compatible workstations (Intel/Linux, SGI/IRIX IBM
29RS/6000), symmetric multi-processors (Intel/Linux, SGI/IRIX), and massively
30parallel computers (IBM SP, Intel Paragon).
31
32*/
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