All of these are with the local harmonic prefactor. Obviously, the sorted Frenkel has an unfair advantage with few trajectories.
Other associated files:
- mod_frenkel_locharm.job
- modified_frenkel_s00.inp
- mod_frenkel_s00.out
- modified_frenkel_s01.inp
- mod_frenkel_s01.out
- modified_frenkel_s02.inp
- mod_frenkel_s02.out
- modified_frenkel_s03.inp
- mod_frenkel_s03.out
- modified_frenkel_s04.inp
- mod_frenkel_s04.out
- modified_frenkel_s05.inp
- mod_frenkel_s05.out
- modified_frenkel_s06.inp
- mod_frenkel_s06.out
- modified_frenkel_s07.inp
- mod_frenkel_s07.out
- modified_frenkel_s08.inp
- mod_frenkel_s08.out
- modified_frenkel_s09.inp
- mod_frenkel_s09.out
- modified_metrop_s00.inp
- mod_metrop_s00.out
- modified_metrop_s01.inp
- mod_metrop_s01.out
- modified_metrop_s02.inp
- mod_metrop_s02.out
- modified_metrop_s03.inp
- mod_metrop_s03.out
- modified_metrop_s04.inp
- mod_metrop_s04.out
- modified_metrop_s05.inp
- mod_metrop_s05.out
- modified_metrop_s06.inp
- mod_metrop_s06.out
- modified_metrop_s07.inp
- mod_metrop_s07.out
- modified_metrop_s08.inp
- mod_metrop_s08.out
- modified_metrop_s09.inp
- mod_metrop_s09.out
- unsort_frenkel_s00.inp
- unsort_frenkel_s00.out
- unsort_frenkel_s01.inp
- unsort_frenkel_s01.out
- unsort_frenkel_s02.inp
- unsort_frenkel_s02.out
- unsort_frenkel_s03.inp
- unsort_frenkel_s03.out
- unsort_frenkel_s04.inp
- unsort_frenkel_s04.out
- unsort_frenkel_s05.inp
- unsort_frenkel_s05.out
- unsort_frenkel_s06.inp
- unsort_frenkel_s06.out
- unsort_frenkel_s07.inp
- unsort_frenkel_s07.out
- unsort_frenkel_s08.inp
- unsort_frenkel_s08.out
- unsort_frenkel_s09.inp
- unsort_frenkel_s09.out
The following files were referred to, but could not be found:
- mod_frenkel_final.data
- mod_metrop_final.data
- unsort_frenkel_final.data
- t150.png
- t250.png
Tags: fbivr, frenkel_testing, grossman, hess_normal, hk_overlap_coherent, hk_prefactor_local_harmonic, manolopoulos, mc_generate_frenkel, mc_generate_metrop, morse