Precision fix for rescbt code.

[alexxy/gromacs.git] / src / gromacs / listed_forces / restcbt.cpp

diff --git a/src/gromacs/listed_forces/restcbt.cpp b/src/gromacs/listed_forces/restcbt.cpp
index 6e88355ff27285d6f285be24e8d1560b5d293522..01d0a67ea5b27ba2cd4bbacc5f0d2b6bac7b8231 100644 (file)
--- a/src/gromacs/listed_forces/restcbt.cpp
+++ b/src/gromacs/listed_forces/restcbt.cpp
@@ -60,15 +60,17 @@
 
 void compute_factors_restangles(int type, const t_iparams forceparams[],
                                 rvec delta_ante,  rvec delta_post,
-                                real *prefactor, real *ratio_ante, real *ratio_post, real *v)
+                                double *prefactor, double *ratio_ante, double *ratio_post, real *v)
 {
-    real theta_equil, k_bending;
-    real cosine_theta_equil;
-    real c_ante, c_cros, c_post;
-    real norm;
-    real delta_cosine, cosine_theta;
-    real sine_theta_sq;
-    real term_theta_theta_equil;
+    // These variables are double to make the code
+    // reproducible.
+    double theta_equil, k_bending;
+    double cosine_theta_equil;
+    double c_ante, c_cros, c_post;
+    double norm;
+    double delta_cosine, cosine_theta;
+    double sine_theta_sq;
+    double term_theta_theta_equil;
 
     k_bending          = forceparams[type].harmonic.krA;
     theta_equil        =  forceparams[type].harmonic.rA*DEG2RAD;