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is
invoked from the main level of X-PLOR. The energy calculation
is carried out as soon as the END statement is given.
energy-statement:==
ACCUmulate=ENERgyPRINtRESEt
specifies options
for computing energy statistics. If ENERgy is specified, it
computes, prints, and accumulates
the energy.
If RESEt is selected, the internal energy accumulator is reset
without performing an energy calculation. If PRINt is
selected, the average and rms values of the partial energy
terms will be printed without an energy calculation (default: ENERgy).