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Merge branch release-2016 into release-2018
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxana
/
gmx_genion.cpp
diff --git
a/src/gromacs/gmxana/gmx_genion.cpp
b/src/gromacs/gmxana/gmx_genion.cpp
index deb93af4379bd418c254335a4470c3861a3ff4f4..c74701d5ae4a6e3dc1b50ba9f1c11b5df60efe10 100644
(file)
--- a/
src/gromacs/gmxana/gmx_genion.cpp
+++ b/
src/gromacs/gmxana/gmx_genion.cpp
@@
-385,7
+385,7
@@
int gmx_genion(int argc, char *argv[])
};
t_topology top;
rvec *x, *v;
- real vol
, qtot
;
+ real vol;
matrix box;
t_atoms atoms;
t_pbc pbc;
@@
-425,7
+425,7
@@
int gmx_genion(int argc, char *argv[])
atoms = top.atoms;
/* Compute total charge */
- qtot = 0;
+
double
qtot = 0;
for (i = 0; (i < atoms.nr); i++)
{
qtot += atoms.atom[i].q;