revolution almost done - working version

Author: slipchenko

efpmd/src/main.c

@@ -166,6 +166,8 @@ static struct cfg *make_cfg(void)
     cfg_add_int(cfg, "update_params", 0);
     cfg_add_double(cfg, "update_params_cutoff", 0.0);
 
+    cfg_add_int(cfg, "print", 0);
+
     return cfg;
 }
 
@@ -286,7 +288,8 @@ static struct efp *create_efp(const struct cfg *cfg, const struct sys *sys)
         .symmetry = cfg_get_bool(cfg, "symmetry"),
         .symm_frag = cfg_get_enum(cfg, "symm_frag"),
         .update_params = cfg_get_int(cfg, "update_params"),
-        .update_params_cutoff = cfg_get_double(cfg, "update_params_cutoff")
+        .update_params_cutoff = cfg_get_double(cfg, "update_params_cutoff"),
+        .print = cfg_get_int(cfg, "print")
 	};
 
 	if (opts.xr_cutoff == 0.0) {

src/efp.c

@@ -449,7 +449,8 @@ check_params(struct efp *efp)
 	enum efp_result res;
 
 	for (size_t i = 0; i < efp->n_frag; i++) {
-	    // print_frag_info(efp, i);
+        if (efp->opts.print > 1)
+            print_frag_info(efp, i);
         if ((res = check_frag_params(&efp->opts, efp->frags + i))) {
             efp_log("check_params() failure");
             return res;

src/efp.h

@@ -177,6 +177,8 @@ struct efp_opts {
     int update_params;
     /** Cutoff when updating parameters is "safe". Default 0.0 (never safe) */
     double update_params_cutoff;
+    /** Level of print out */
+    int print;
 };
 
 /** EFP energy terms. */