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Fixed more real/double issues in gmx_density
author
Rossen Apostolov
<rossen@kth.se>
Mon, 21 Mar 2011 11:26:12 +0000
(12:26 +0100)
committer
Rossen Apostolov
<rossen@kth.se>
Mon, 21 Mar 2011 11:26:12 +0000
(12:26 +0100)
src/tools/gmx_density.c
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diff --git
a/src/tools/gmx_density.c
b/src/tools/gmx_density.c
index f5c5ec63170037fb4f85f80211638a34cf684d86..9d64e7b839fe3311efc9d353be2048715d9e125f 100644
(file)
--- a/
src/tools/gmx_density.c
+++ b/
src/tools/gmx_density.c
@@
-141,7
+141,7
@@
void center_coords(t_atoms *atoms,matrix box,rvec x0[],int axis)
}
void calc_electron_density(const char *fn, atom_id **index, int gnx[],
}
void calc_electron_density(const char *fn, atom_id **index, int gnx[],
-
double
***slDensity, int *nslices, t_topology *top,
+
real
***slDensity, int *nslices, t_topology *top,
int ePBC,
int axis, int nr_grps, real *slWidth,
t_electron eltab[], int nr,gmx_bool bCenter,
int ePBC,
int axis, int nr_grps, real *slWidth,
t_electron eltab[], int nr,gmx_bool bCenter,
@@
-239,7
+239,7
@@
void calc_electron_density(const char *fn, atom_id **index, int gnx[],
}
void calc_density(const char *fn, atom_id **index, int gnx[],
}
void calc_density(const char *fn, atom_id **index, int gnx[],
-
double
***slDensity, int *nslices, t_topology *top, int ePBC,
+
real
***slDensity, int *nslices, t_topology *top, int ePBC,
int axis, int nr_grps, real *slWidth, gmx_bool bCenter,
const output_env_t oenv)
{
int axis, int nr_grps, real *slWidth, gmx_bool bCenter,
const output_env_t oenv)
{