X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxlib%2Fnonbonded%2Fnb_free_energy.h;h=c9366f377b53dd1fe8c1a260aa207695d9c94e91;hb=a1fbbb07241495656429dbb560e93769368609a4;hp=8b76221810e86d7f4af9ae2984987c4d07da04a0;hpb=19d3c2e5d0c401eb59010960d11a18b6ba2c54c6;p=alexxy%2Fgromacs.git

diff --git a/src/gromacs/gmxlib/nonbonded/nb_free_energy.h b/src/gromacs/gmxlib/nonbonded/nb_free_energy.h
index 8b76221810..c9366f377b 100644
--- a/src/gromacs/gmxlib/nonbonded/nb_free_energy.h
+++ b/src/gromacs/gmxlib/nonbonded/nb_free_energy.h
@@ -42,22 +42,12 @@
 #include "gromacs/legacyheaders/typedefs.h"
 
 void
-gmx_nb_free_energy_kernel(const t_nblist * gmx_restrict    nlist,
-                          rvec * gmx_restrict              xx,
-                          rvec * gmx_restrict              ff,
-                          t_forcerec * gmx_restrict        fr,
-                          const t_mdatoms * gmx_restrict   mdatoms,
-                          nb_kernel_data_t * gmx_restrict  kernel_data,
-                          t_nrnb * gmx_restrict            nrnb);
-
-real
-    nb_free_energy_evaluate_single(real r2, real sc_r_power, real alpha_coul,
-                                   real alpha_vdw, real tabscale, real *vftab,
-                                   real qqA, real c6A, real c12A, real qqB,
-                                   real c6B, real c12B, real LFC[2], real LFV[2], real DLF[2],
-                                   real lfac_coul[2], real lfac_vdw[2], real dlfac_coul[2],
-                                   real dlfac_vdw[2], real sigma6_def, real sigma6_min,
-                                   real sigma2_def, real sigma2_min,
-                                   real *velectot, real *vvdwtot, real *dvdl);
+    gmx_nb_free_energy_kernel(const t_nblist * gmx_restrict    nlist,
+                              rvec * gmx_restrict              xx,
+                              rvec * gmx_restrict              ff,
+                              t_forcerec * gmx_restrict        fr,
+                              const t_mdatoms * gmx_restrict   mdatoms,
+                              nb_kernel_data_t * gmx_restrict  kernel_data,
+                              t_nrnb * gmx_restrict            nrnb);
 
 #endif