diff --git a/src/REPLICA/bosonic_exchange.h b/src/REPLICA/bosonic_exchange.h index 58e2148d24..be36e2910e 100644 --- a/src/REPLICA/bosonic_exchange.h +++ b/src/REPLICA/bosonic_exchange.h @@ -52,18 +52,6 @@ class BosonicExchange : protected Pointers { const int np; const int bead_num; const bool apply_minimum_image; - // In the "reduced-beta convention" [e.g. in J. Chem. Phys. 133, 124104 (2010); also J. Chem. Phys. 74, 4078-4095 (1981)], - // the Boltzmann exponents have the form exp[-(beta/P)H], where H is the classical Hamiltonian of the - // ring polymers. This results in a canonical distribution at P times the physical temperature. - // In contrast, the "physical-beta convention" [e.g. in J. Chem. Phys. 99, 2796-2808 (1993)] uses weights of the form exp(-beta*H), - // such that the temperature of the canonical ensemble coincides with the physical temperature. - // Notably, the classical Hamiltonians of the two conventions differ, with the spring constant - // in the reduced-beta convention being P times larger than that in the physical-beta convention. Additionally, the reduced-beta convention - // lacks a 1/P prefactor in front of the external potential. The Hamiltonians of the two conventions are related through - // H_physical = H_reduced / P. Note however that the expressions for the various estimators are unaffected by this choice, - // so as the algorithm for bosonic exchange. The code below was designed to be compatible with both conventions, - // and the choice of convention only affects a single calculation within it. - // Setting the following boolian variable to false amounts to adopting the reduced-beta convention. const bool physical_beta_convention; double spring_constant;