added position insertion method + fixed positioning

[physik/posic.git] / mdrun.h

diff --git a/mdrun.h b/mdrun.h
index 20d68d7..fa16906 100644 (file)
--- a/mdrun.h
+++ b/mdrun.h
@@ -57,8 +57,9 @@ typedef struct s_mdrun {
        double timestep;                        // timestep
 
        u8 potential;                           // potential
-
        double cutoff;                          // cutoff radius
+       double nnd;                             // next neighbour distance
+
        t_3dvec dim;                            // simulation volume
        u8 pbcx;                                // periodic boundary conditions
        u8 pbcy;
@@ -115,6 +116,7 @@ typedef struct s_insert_atoms_params {
 
 #define INS_TOTAL                              0x01
 #define INS_REGION                             0x02
+#define INS_POS                                        0x03
 
 typedef struct s_continue_params {
        int runs;