/usr/include/chemps2/Gsl.h is in libchemps2-dev 1.6-3.
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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 | /*
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2015 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 GSL_CHEMPS2_H
#define GSL_CHEMPS2_H
extern "C" {
//To be able to print the coefficients belonging to certain Slater determinants Wigner 3-j symbols are now also needed...
double gsl_sf_coupling_3j(int two_ja, int two_jb, int two_jc, int two_ma, int two_mb, int two_mc);
double gsl_sf_coupling_6j(int two_ja, int two_jb, int two_jc, int two_jd, int two_je, int two_jf);
double gsl_sf_coupling_9j(int two_ja, int two_jb, int two_jc, int two_jd, int two_je, int two_jf, int two_jg, int two_jh, int two_ji);
}
#endif
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