Contributors

AMPAC™ is the product of many people's efforts spanning many years. We have included those workers to the extent possible below. The vast majority of the initial method and code development were carried out by Professor Michael J. S. Dewar and researchers working under his direction at the University of Texas at Austin. Since its introduction in 1985, other individuals and research groups have developed algorithms and computer codes that interface with and enhance the capabilities of AMPAC, and many of these have kindly been contributed to AMPAC as it now stands. Their contributions are also listed. We intend to update and expand this section of the manual as appropriate. A bibliography listing literature references is included in Chapter 16, References.

Main Program

Michael J. S. Dewar

Roy D. Dennington, II

James J. P. Stewart

Eamonn F. Healy

James M. Ruiz

Todd A. Keith

Daniel A. Liotard

John M. Millam

Manual

Michael J. S. Dewar

Donald G. Truhlar

Andrew J. Holder

Todd A. Keith

Roy D. Dennington, II

John M. Millam

Daniel A. Liotard

C. David Harris

MINDO3

Michael J. S. Dewar

Donald H. Lo

Richard C. Bingham

 

MNDO

Michael J. S. Dewar

Walter Thiel

MNDO Parameters

Michael J. S. Dewar

James Friedheim

Walter Thiel

Gilbert Grady

L. P. Davis

James J. P. Stewart

R. M. Guidry

Michael L. McKee

J. R. Williams

Kenneth M. Merz, Jr.

H. S. Rzepa

Charles H. Reynolds

Eamonn F. Healy

Mary K. Holloway

AM1

Michael J. S. Dewar

Eamonn F. Healy

James J. P. Stewart

Eve G. Zoebisch

AM1 Parameters

Michael J. S. Dewar

Daniel R. Kuhn

James J. P. Stewart

Andrew J. Holder

Eamonn F. Healy

Kenneth M. Merz, Jr.

Eve G. Zoebisch

Yate-Ching Yuan

Coaxian Jie

 

PM3 and PM3 Parameters

James J. P. Stewart

 

MNDOC

Walter Thiel

 

SAM1

Michael J. S. Dewar

James M. Ruiz

Coaxian Jie

Andrew J. Holder

Jianguo Yu

Roy D. Dennington, II

Graphical User Interface

Ken Eppinnett

Andrew J. Holder

W. Lee Hovell

Todd A. Keith

Ray Gilliland

John M. Millam

Roy D. Dennington, II

 

ESP Charge Method

Brent B. Besler

Kenneth M. Merz, Jr.

TRUSTE/TRUSTG

Daniel A. Liotard

 

Eigenvector Following (EF) Method

Frank Jensen

 

Molecular and Orbital Symmetry

David Danovich

 

Amsol Model Module

Christopher J. Cramer

Gillian C. Lynch

Donald G. Truhlar

Daniel A. Liotard

Gregory D. Hawkins

 

Annealing

Daniel A. Liotard

 

Finite Field Polarizability

Henry Kurtz

Kenneth Dieter

James J. P. Stewart

 

LTRD and NEWTON

Daniel A. Liotard

 

C.I. Analytical Gradients

Michael J. S. Dewar

Daniel A. Liotard

CHN and CHAIN

Daniel A. Liotard

 

PATH

Daniel A. Liotard

 

Thermodynamics

Michael J. S. Dewar

George P. Ford

Test Suite

John M. Millam

Andrew J. Holder