Skip to content
Snippets Groups Projects
Commit 8a80940c authored by Glen Hocky's avatar Glen Hocky
Browse files

Merge branch 'add-lm-to-eds' of https://github.com/hockyg/plumed2 into add-lm-to-eds

parents 1a2c5cf5 14f0543b
No related branches found
No related tags found
No related merge requests found
...@@ -316,7 +316,7 @@ EDS::EDS(const ActionOptions&ao): ...@@ -316,7 +316,7 @@ EDS::EDS(const ActionOptions&ao):
checkRead(); checkRead();
/* /*
* Things that are different when usnig changing centers: * Things that are different when using changing centers:
* 1. Scale * 1. Scale
* 2. The log file * 2. The log file
* 3. Reading Restarts * 3. Reading Restarts
...@@ -426,6 +426,8 @@ EDS::EDS(const ActionOptions&ao): ...@@ -426,6 +426,8 @@ EDS::EDS(const ActionOptions&ao):
log.printf("\n with initial ranges / rates:\n"); log.printf("\n with initial ranges / rates:\n");
for(unsigned int i = 0; i<max_coupling_range_.size(); i++) { for(unsigned int i = 0; i<max_coupling_range_.size(); i++) {
//this is just an empirical guess. Bigger range, bigger grads. Less frequent updates, bigger changes //this is just an empirical guess. Bigger range, bigger grads. Less frequent updates, bigger changes
//
//using the current maxing out scheme, max_coupling_range is the biggest step that can be taken in any given interval
max_coupling_range_[i]*=kbt_; max_coupling_range_[i]*=kbt_;
max_coupling_grad_[i] = max_coupling_range_[i]; max_coupling_grad_[i] = max_coupling_range_[i];
log.printf(" %f / %f\n",max_coupling_range_[i],max_coupling_grad_[i]); log.printf(" %f / %f\n",max_coupling_range_[i],max_coupling_grad_[i]);
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment