OSIPE - A TOOL FOR SCIENTIFIC PROGRAMMING IN FORTRAN

被引:15
作者
COLONNA, F
JOLLY, LH
POIRIER, RA
ANGYAN, JG
JANSEN, G
机构
[1] MEM UNIV NEWFOUNDLAND,DEPT CHEM,ST JOHNS A1B 3X7,NEWFOUNDLAND,CANADA
[2] UNIV NANCY 1,CHIM THEOR LAB,F-54506 VANDOEUVRE NANCY,FRANCE
基金
加拿大自然科学与工程研究理事会;
关键词
D O I
10.1016/0010-4655(94)90079-5
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
FORTRAN tools have been designed to support well-structured, modular, route-independent and easily interfaceable programming. This set of tools, which creates a kind of low-level object-oriented programming environment, is refered to as OSIPE (Open Structured Interfaceable Programming Environment). Its main role is to transform meaningful FORTRAN variables into Objects which are linked via ''created-by'' relationships. Two programs, written in the OSIPE environment, an ab initio electronic structure code, MUNGAUSS, and a novel implementation of a quantum chemical solvent effect theory, SOLVENT, are briefly described. Efficient tools are provided to restructure existing FORTRAN codes and make them compatible with the OSIPE environment.
引用
收藏
页码:293 / 317
页数:25
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