E4ITD - A GENERAL FORTRAN IMPLEMENTATION OF THE 4IT ALGORITHM

被引：4

作者：

CISNEROS, G

BUNGE, CF

BUNGE, AV

DAUDEY, JP

机构：

[1] UNIV AUTONOMA METROPOLITANA,DEPT QUIM,MEXICO CITY 09340,DF,MEXICO

[2] UNIV TOULOUSE 3,PHYS QUANT LAB,F-31062 TOULOUSE,FRANCE

[3] UNIV NACL AUTONOMA MEXICO,INST FIS,MEXICO CITY 01000,DF,MEXICO

来源：

COMPUTERS & CHEMISTRY | 1988年 / 12卷 / 02期

关键词：

D O I：

10.1016/0097-8485(88)85012-5

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：141 / 164

页数：24

共 8 条

[1] V4ITD - A PORTABLE AND EFFICIENT FORTRAN IMPLEMENTATION OF THE 4IT ALGORITHM USING VIRTUAL MEMORY AND AN EXTERNAL STORAGE DEVICE [J].

BUNGE, CF ;

BUNGE, AV ;

CISNEROS, G ;

DAUDEY, JP .

COMPUTERS & CHEMISTRY, 1988, 12 (02) :109-140

[2] NEW ALGORITHM AND FORTRAN MODULE TO CARRY OUT THE 4-INDEX TRANSFORMATION OF ATOMIC AND MOLECULAR PHYSICS WHOLLY IN CENTRAL MEMORY [J].

BUNGE, CF ;

BUNGE, AV ;

CISNEROS, G ;

DAUDEY, JP .

COMPUTERS & CHEMISTRY, 1988, 12 (02) :91-107

[3] INTERNAL SORT MODULES BASED ON 2-WAY MERGE ALGORITHMS [J].

BUNGE, CF ;

CISNEROS, G .

COMPUTERS & CHEMISTRY, 1986, 10 (02) :101-108

[4] SORTING LARGE LISTS OF SMALL ITEMS - A MODULE FOR SCIENTIFICALLY ORIENTED APPLICATIONS [J].

BUNGE, CF ;

CISNEROS, G .

COMPUTERS & CHEMISTRY, 1986, 10 (02) :109-133

[5] FAST VECTOR-SCALAR-MULTIPLY-AND-ADD SUBROUTINES FOR VAX COMPUTERS [J].

CISNEROS, G ;

BUNGE, CF ;

ROOTHAAN, CCJ .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1987, 8 (05) :618-624

[6] A MODULAR PACKAGE FOR EFFICIENT I/O OPERATIONS [J].

CISNEROS, G ;

BUNGE, CF .

COMPUTERS & CHEMISTRY, 1986, 10 (02) :153-161

[7] BIN SORT MODULE TO ORDER LARGE LISTS OF SMALL ITEMS: A MODULE FOR SCIENTIFICALLY ORIENTED APPLICATIONS. [J].

Cisneros, Gerardo ;

Poulain, Enrique ;

Bunge, Carlos F. .

Computers and Chemistry, 1986, 10 (02) :135-151

[8] THE DIRECT CI METHOD - A DETAILED ANALYSIS [J].

SAUNDERS, VR ;

VANLENTHE, JH .

MOLECULAR PHYSICS, 1983, 48 (05) :923-954

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