/usr/include/chemps2/Initialize.h is in libchemps2-dev 1.8.5-1.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 | /*
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2018 Sebastian Wouters
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*/
#ifndef INITIALIZE_CHEMPS2_H
#define INITIALIZE_CHEMPS2_H
namespace CheMPS2{
/** Initialize class.
\author Sebastian Wouters <sebastianwouters@gmail.com>
\date September 23, 2014
For PyCheMPS, the seed of the random number generator and cout.precision need to be set. */
class Initialize{
public:
//! Initialize the random number generator and the cout.precision
static void Init();
};
}
#endif
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