colvar::cvc::cvc()
: sup_coeff(1.0),
sup_np(1),
b_periodic(false),
b_try_scalable(true)
{
init_cvc_requires();
}
colvar::cvc::cvc(std::string const &conf)
: sup_coeff(1.0),
sup_np(1),
b_periodic(false),
b_try_scalable(true)
{
if (cvm::debug())
cvm::log("Initializing cvc base object.\n");
init_cvc_requires();
if (get_keyval(conf, "name", this->name, std::string(""), parse_silent)) {
// Temporary description until child object is initialized
description = "cvc " + name;
} else {
description = "uninitialized cvc";
}
get_keyval(conf, "componentCoeff", sup_coeff, 1.0);
get_keyval(conf, "componentExp", sup_np, 1);
get_keyval(conf, "period", period, 0.0);
get_keyval(conf, "wrapAround", wrap_center, 0.0);
// All cvcs implement this
provide(f_cvc_debug_gradient);
{
bool b_debug_gradient;
get_keyval(conf, "debugGradients", b_debug_gradient, false, parse_silent);
if (b_debug_gradient) enable(f_cvc_debug_gradient);
}
// Attempt scalable calculations when in parallel? (By default yes, if available)
get_keyval(conf, "scalable", b_try_scalable, true);
if (cvm::debug())
cvm::log("Done initializing cvc base object.\n");
}