forked from sanshar/Block
-
Notifications
You must be signed in to change notification settings - Fork 0
/
solver.h
22 lines (18 loc) · 892 Bytes
/
solver.h
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
/*
Developed by Sandeep Sharma and Garnet K.-L. Chan, 2012
Copyright (c) 2012, Garnet K.-L. Chan
This program is integrated in Molpro with the permission of
Sandeep Sharma and Garnet K.-L. Chan
*/
#ifndef SPIN_SOLVER_HEADER_H
#define SPIN_SOLVER_HEADER_H
#include "spinblock.h"
#include "wavefunction.h"
namespace SpinAdapted{
namespace Solver
{
void solve_wavefunction(vector<Wavefunction>& solution, std::vector<double>& energies, SpinBlock& big, const double tol,
const guessWaveTypes& guesswavetype, const bool &onedot, const bool& dot_with_sys, const bool& warmUp, double additional_noise, int currentRoot, std::vector<Wavefunction>& lowerStates);
};
}
#endif