Review Article

Simulation Algorithm That Conserves Energy and Momentum for Molecular Dynamics of Systems Driven by Switching Potentials

Table 1

Values for the mean heat supply per unit step and temperature. The error is one unit of standard error for the quantities.

Curve Mean temperature

−.2274E+00 0.19E−02 −.2295E+00 0.21E−02 0.9063E+01 0.62E−02
−.5602E+00 0.22E−02 −.5596E+00 0.22E−02 0.1032E+02 0.63E−02
−.4161E−01 0.14E−02 −.4089E-01 0.14E−02 0.8774E+01 0.79E−02
−.5201E−01 0.16E−02 −.5103E−01 0.17E−02 0.8980E+01 0.98E−02
−.5312E−03 0.92E−03 −.3334E−03 0.76E−03 0.8082E+01 0.49E−02
0.1311E−02 0.82E−03 0.1147E−02 0.84E−03 0.7731E+01 0.97E−02
−.6823E−03 0.12E−02 −.1507E−02 0.13E−02 0.1216E+02 0.17E−01
0.7291E−02 0.12E−02 0.6343E−02 0.14E−02 0.1088E+02 0.15E−01
−.9348E−03 0.18E−02 −.3379E−02 0.17E−02 0.1622E+02 0.18E−01
0.1918E−01 0.14E-02 0.1938E−01 0.16E−02 0.1329E+02 0.20E−01