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Merge branch 'master' into fix-ttm-grid

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This commit is contained in:
Steve Plimpton
2021-08-24 11:34:27 -06:00
parent 0dea376e1a 43261c3a4f
commit 3d34ee5087
132 changed files with 5484 additions and 3472 deletions
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15
src/modify.cpp
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@ -223,16 +223,11 @@ void Modify::init()
list_init_energy_global(n_energy_global,list_energy_global);
list_init_energy_atom(n_energy_atom,list_energy_atom);
list_init(INITIAL_INTEGRATE_RESPA,
n_initial_integrate_respa,list_initial_integrate_respa);
list_init(POST_INTEGRATE_RESPA,
n_post_integrate_respa,list_post_integrate_respa);
list_init(POST_FORCE_RESPA,
n_post_force_respa,list_post_force_respa);
list_init(PRE_FORCE_RESPA,
n_pre_force_respa,list_pre_force_respa);
list_init(FINAL_INTEGRATE_RESPA,
n_final_integrate_respa,list_final_integrate_respa);
list_init(INITIAL_INTEGRATE_RESPA,n_initial_integrate_respa,list_initial_integrate_respa);
list_init(POST_INTEGRATE_RESPA,n_post_integrate_respa,list_post_integrate_respa);
list_init(POST_FORCE_RESPA,n_post_force_respa,list_post_force_respa);
list_init(PRE_FORCE_RESPA,n_pre_force_respa,list_pre_force_respa);
list_init(FINAL_INTEGRATE_RESPA,n_final_integrate_respa,list_final_integrate_respa);
list_init(MIN_PRE_EXCHANGE,n_min_pre_exchange,list_min_pre_exchange);
list_init(MIN_PRE_NEIGHBOR,n_min_pre_neighbor,list_min_pre_neighbor);