# | Line 125 | Line 125 | class NPT : public Integrator{ (public) | |
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125 | public: | |
126 | ||
127 | NPT ( SimInfo *theInfo, ForceFields* the_ff); | |
128 | < | virtual ~NPT(); |
128 | > | virtual ~NPT() {}; |
129 | ||
130 | void setQmass(double q) {qmass = q; have_qmass = 1;} | |
131 | void setTauThermostat(double tt) {tauThermostat = tt; have_tau_thermostat=1;} | |
# | Line 140 | Line 140 | class NPT : public Integrator{ (public) | |
140 | ||
141 | virtual int readyCheck(); | |
142 | ||
143 | – | Atom** atoms; |
144 | – | |
143 | // zeta and epsilonDot are the propagated degrees of freedom. | |
144 | ||
145 | double zeta; |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |