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