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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15200 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-06-17 23:07:51 +00:00
parent e5fb28a6a0
commit 2fcd26f6c4
33 changed files with 824 additions and 544 deletions
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10
lib/colvars/colvarbias_meta.cpp
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@ -1,4 +1,4 @@
/// -*- c++ -*-
// -*- c++ -*-
#include <iostream>
#include <sstream>
@ -41,10 +41,10 @@ colvarbias_meta::colvarbias_meta(std::string const &conf, char const *key)
if (cvm::n_abf_biases > 0)
cvm::log("Warning: running ABF and metadynamics together is not recommended unless applyBias is off for ABF.\n");
get_keyval(conf, "hillWeight", hill_weight, 0.01);
if (hill_weight == 0.0)
cvm::log("Warning: hillWeight has been set to zero, "
"this bias will have no effect.\n");
get_keyval(conf, "hillWeight", hill_weight, 0.0);
if (hill_weight <= 0.0) {
cvm::error("Error: hillWeight must be provided, and a positive number.\n", INPUT_ERROR);
}
get_keyval(conf, "newHillFrequency", new_hill_freq, 1000);