Permission is granted to make and distribute verbatim copies of this manual provided the copyright notice and this permission notice are preserved on all copies. Permission is granted to copy and distribute modied versions of this manual under the conditions for verbatim copying, provided also that the entire resulting derived work is distributed under the terms of a permission notice identical to this one. Permission is granted to copy and distribute translations of this manual into another language, under the above conditions for modied versions.
|
649
|
Handbook of Mathematical Functions
– Abramowitz, Stegun, et al.
- 1965
|
|
294
|
Computer Simulation of Liquids
– Allen, Tildesley
- 1987
|
|
185
|
Seminumerical Algorithms
– Knuth
- 1969
|
|
74
|
Vaidy Sunderam.“PVM: Parallel Virtual Machine – A Users’ Guide and Tutorial for Networked Parallel Computing
– Geist, Beguelin, et al.
- 1994
|
|
34
|
Classical Mechanics, 2nd ed
– Goldstein
- 1980
|
|
33
|
Canonical dynamics: Equilibrium phase-space distributions
– Hoover
- 1985
|
|
19
|
Simulation of electrostatic systems in periodic boundary conditions. II. Equivalence of boundary conditions
– Leeuw, Perram, et al.
- 1980
|
|
17
|
Molecular dynamics on hypercube parallel computers
– Smith
- 1991
|
|
15
|
Theory of Simple Liquids, 2nd ed
– Hansen, McDonald
- 1986
|
|
14
|
Some multistep methods for use in molecular dynamics calculations
– Beeman
- 1976
|
|
13
|
Large-scale molecular dynamics simulation using vector and parallel computers
– Rapaport
- 1988
|
|
12
|
A molecular dynamics method for simulation in the canonical ensemble
– Nosé
- 1984
|
|
12
|
Polymorphic Transitions in Single Crystals: A New Molecular Dynamics Method
– Parrinello, Rahman
- 1981
|
|
4
|
On the representation of orientation space
– Evans
- 1977
|
|
3
|
Singularity free algorithms for molecular dynamics simulation of rigid polyatoms
– Evans, Murad
- 1977
|
|
3
|
New methods for searching for neighbours in molecular dynamics computations
– Quentrec, Brot
- 1973
|
|
3
|
Novice Programming
– Smith, Cypher, et al.
- 2000
|
|
2
|
An introduction to Occam 2 programming
– Bowler, Kenway, et al.
- 1987
|
|
2
|
Ergodicity and dynamical properties of constant temperature molecular dynamics
– Cho, Kleinman, et al.
- 1992
|
|
2
|
Constant-temperature molecular dynamics with momentum conservation
– Cho, Joannopoulos, et al.
- 1993
|
|
2
|
Optimization of the Ewald sum for large systems, Molecular Simulation 13
– Fincham
- 1994
|
|
2
|
The C Programming Language (1st ed
– Kernighan, Ritchie
- 1978
|
|
2
|
Ci study of the water dimer potential surface
– Matsuoka, Clementi, et al.
- 1976
|
|
2
|
A Library for Bulk-synchronous Parallel Computing
– Miller
- 1993
|
|
2
|
An improved algorithm for molecular dynamics simulation of rigid molecules
– Sonnenschein
- 1985
|
|
2
|
Computer experiments on classical I. Thermodynamical properties
– Verlet
- 1967
|
|
1
|
L'energie electrostatique de reseaux ioniques
– Berthaut
- 1952
|
|
1
|
Molecular dynamics simulation of an aqueous MgCl 2 solution, Z. Naturforsch 37a
– Deitz, Riede, et al.
- 1982
|
|
1
|
Rotational verlet
– Fincham
- 1981
|
|
1
|
Tcgmsg send/receive subroutines, Battelle Paci Northwest Laboratory
– Harrison
- 1994
|
|
1
|
Large numbers of particles on
– Heyes
- 1987
|
|
1
|
Revised TIPS model for simulations of liquid water and aqueous solutions
– Jorgensen
- 1982
|
|
1
|
Neues von SCHAKAL, Chemie in unserer Zeit 20
– Keller
- 1986
|
|
1
|
Study of the structure of molecular complexes III. Energy surface of a water molecule in the of a or chlorine anion
– Kistenmacher, Popkie, et al.
- 1973
|
|
1
|
Computer simulation package for liquids and solids with polar interactions. I. McMOLDYN /H2O: aqueous systems
– Laakonsen
- 1985
|
|
1
|
dynamics simulations at constant temperature and pressure
– Molecular
- 1991
|
|
1
|
Constant pressure molecular dynamics for molecular systems, Molecular Physics 50(5
– Nose, Klein
- 1983
|
|
1
|
Molecular dynamics simulation of the plastic phase; a model for
– Pawley
- 1981
|
|
1
|
Quaternion-based reorientation conditions for molecular dynamics analyses, Molecular Physics 55
– Pawley, Dove
- 1985
|
|
1
|
A computer simulation for a simple model of liquid hydrogen chloride, Molecular Physics 38
– Powles, Evans, et al.
- 1979
|
|
1
|
Molecular dynamics simulation of solid n-butane
– Refson
- 1985
|
|
1
|
Molecular dynamics studies of the condensed phases of n-butane and their transitions
– Refson, Pawley
- 1987
|
|
1
|
On the accuracy of some common molecular dynamics algorithms, Molecular Simulations 3
– Rodger
- 1989
|
