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"); }