X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Flegacyheaders%2Fnonbonded.h;h=3b7b75e949834f1445e052354918ab1b0d1389e0;hb=a1fbbb07241495656429dbb560e93769368609a4;hp=c985396e5914ac0067f9fb6e767ad7a4d0a40d59;hpb=19d3c2e5d0c401eb59010960d11a18b6ba2c54c6;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/legacyheaders/nonbonded.h b/src/gromacs/legacyheaders/nonbonded.h index c985396e59..3b7b75e949 100644 --- a/src/gromacs/legacyheaders/nonbonded.h +++ b/src/gromacs/legacyheaders/nonbonded.h @@ -38,9 +38,6 @@ #ifndef _nonbonded_h #define _nonbonded_h -#include "gromacs/legacyheaders/genborn.h" -#include "gromacs/legacyheaders/network.h" -#include "gromacs/legacyheaders/tgroup.h" #include "gromacs/legacyheaders/typedefs.h" #ifdef __cplusplus @@ -50,10 +47,6 @@ extern "C" { } /* fixes auto-indentation problems */ #endif -struct t_graph; -struct t_pbc; - - void gmx_nonbonded_setup(t_forcerec * fr, gmx_bool bGenericKernelOnly); @@ -83,16 +76,6 @@ do_nonbonded(t_forcerec *fr, t_nrnb *nrnb, real *lambda, real dvdlambda[], int nls, int eNL, int flags); -/* Calculate VdW/charge listed pair interactions (usually 1-4 interactions). - * global_atom_index is only passed for printing error messages. - */ -real -do_nonbonded_listed(int ftype, int nbonds, const t_iatom iatoms[], const t_iparams iparams[], - const rvec x[], rvec f[], rvec fshift[], - const struct t_pbc *pbc, const struct t_graph *g, - real *lambda, real *dvdl, const t_mdatoms *md, const t_forcerec *fr, - gmx_grppairener_t *grppener, int *global_atom_index); - #ifdef __cplusplus } #endif