Merge pull request #205 from DaehoHan/xf-devel

alexvakimov · web-flow · commit 80b61f66030f · 2024-03-01T20:32:28.000-05:00
Fix the reordering of phase gradients
diff --git a/src/dyn/dyn_decoherence_methods.cpp b/src/dyn/dyn_decoherence_methods.cpp
@@ -1540,7 +1540,7 @@ void rotate_nab_phase(dyn_variables& dyn_var, nHamiltonian& ham, dyn_control_par
           phi.set(i,i, complex<double>(dyn_var.nab_phase[traj]->get(i, idof), 0.0) );
         }
       }
-      phi = T_new.H() * phi * T_new;
+      phi = T_new * phi * T_new.H();
         
       for(int i=0; i<nst; i++){
         if(is_mixed[i]==1){

Original file line number	Diff line number	Diff line change
`@@ -1540,7 +1540,7 @@ void rotate_nab_phase(dyn_variables& dyn_var, nHamiltonian& ham, dyn_control_par`
`1540`	`1540`	`phi.set(i,i, complex<double>(dyn_var.nab_phase[traj]->get(i, idof), 0.0) );`
`1541`	`1541`	`}`
`1542`	`1542`	`}`
`1543`		`- phi = T_new.H() * phi * T_new;`
	`1543`	`+ phi = T_new * phi * T_new.H();`
`1544`	`1544`
`1545`	`1545`	`for(int i=0; i<nst; i++){`
`1546`	`1546`	`if(is_mixed[i]==1){`