getting out of the insurance business :-)
This commit is contained in:
@ -243,7 +243,7 @@ void NEBSpin::run()
|
||||
// perform regular NEBSpin for n1steps or until replicas converge
|
||||
// retrieve PE values from fix NEBSpin and print every nevery iterations
|
||||
// break out of while loop early if converged
|
||||
// damped dynamic min styles insure all replicas converge together
|
||||
// damped dynamic min styles ensure all replicas converge together
|
||||
|
||||
timer->init();
|
||||
timer->barrier_start();
|
||||
@ -331,7 +331,7 @@ void NEBSpin::run()
|
||||
// perform climbing NEBSpin for n2steps or until replicas converge
|
||||
// retrieve PE values from fix NEBSpin and print every nevery iterations
|
||||
// break induced if converged
|
||||
// damped dynamic min styles insure all replicas converge together
|
||||
// damped dynamic min styles ensure all replicas converge together
|
||||
|
||||
timer->init();
|
||||
timer->barrier_start();
|
||||
|
||||
Reference in New Issue
Block a user