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	𝜖ℎ	𝜖𝑙	Mean temperature
𝑙1	−.2274E+00 ± 0.19E−02	−.2295E+00 ± 0.21E−02	0.9063E+01 ± 0.62E−02
𝑙2	−.5602E+00 ± 0.22E−02	−.5596E+00 ± 0.22E−02	0.1032E+02 ± 0.63E−02
𝑙3	−.4161E−01 ± 0.14E−02	−.4089E-01 ± 0.14E−02	0.8774E+01 ± 0.79E−02
𝑙4	−.5201E−01 ± 0.16E−02	−.5103E−01 ± 0.17E−02	0.8980E+01 ± 0.98E−02
𝑡1	−.5312E−03 ± 0.92E−03	−.3334E−03 ± 0.76E−03	0.8082E+01 ± 0.49E−02
𝑙5	0.1311E−02 ± 0.82E−03	0.1147E−02 ± 0.84E−03	0.7731E+01 ± 0.97E−02
𝑡2	−.6823E−03 ± 0.12E−02	−.1507E−02 ± 0.13E−02	0.1216E+02 ± 0.17E−01
𝑙6	0.7291E−02 ± 0.12E−02	0.6343E−02 ± 0.14E−02	0.1088E+02 ± 0.15E−01
𝑡3	−.9348E−03 ± 0.18E−02	−.3379E−02 ± 0.17E−02	0.1622E+02 ± 0.18E−01
𝑙7	0.1918E−01 ± 0.14E-02	0.1938E−01 ± 0.16E−02	0.1329E+02 ± 0.20E−01