Removed diagnostics.
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@ -110,9 +110,6 @@ FixNVEManifoldRattle::FixNVEManifoldRattle( LAMMPS *lmp, int &narg, char **arg,
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tstyle = new int[nvars];
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is_var = new int[nvars];
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fprintf(screen,"Succesfully created a manifold of type %s with %d params.\n",
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ptr_m->id(), nvars);
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if( !tstrs || !tvars || !tstyle || !is_var ){
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error->all(FLERR, "Error creating manifold arg arrays");
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}
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@ -121,7 +118,6 @@ FixNVEManifoldRattle::FixNVEManifoldRattle( LAMMPS *lmp, int &narg, char **arg,
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for( int i = 0; i < nvars; ++i ){
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int len = 0, offset = 0;
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if( was_var( arg[i+6] ) ){
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fprintf(screen,"arg %d (%s) was var\n",i+6, arg[i+6]);
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len = strlen(arg[i+6]) - 1; // -1 because -2 for v_, +1 for \0.
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is_var[i] = 1;
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offset = 2;
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@ -141,7 +137,6 @@ FixNVEManifoldRattle::FixNVEManifoldRattle( LAMMPS *lmp, int &narg, char **arg,
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// If param i was variable type, it will be set later...
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ptr_m->params[i] = is_var[i] ? 0.0 : force->numeric( FLERR, arg[i+6] );
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}
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fprintf(screen,"Calling post_param_init().\n");
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ptr_m->post_param_init();
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@ -267,8 +262,7 @@ void FixNVEManifoldRattle::init()
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void FixNVEManifoldRattle::update_var_params()
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{
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fprintf(screen,"In update_var_params().\n");
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if( nevery > 0 ){
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stats.x_iters = 0;
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stats.v_iters = 0;
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@ -278,11 +272,9 @@ void FixNVEManifoldRattle::update_var_params()
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}
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double *ptr_params = ptr_m->params;
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fprintf(screen,"Setting values of params.\n");
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for( int i = 0; i < nvars; ++i ){
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if( is_var[i] ){
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fprintf(screen,"%d was a var.\n", i);
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tvars[i] = input->variable->find(tstrs[i]);
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if( tvars[i] < 0 ){
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error->all(FLERR,
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@ -291,7 +283,6 @@ void FixNVEManifoldRattle::update_var_params()
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if( input->variable->equalstyle(tvars[i]) ){
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tstyle[i] = EQUAL;
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double new_val = input->variable->compute_equal(tvars[i]);
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fprintf( stdout, "New value of var %d is now %f\n", i+1, new_val );
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ptr_params[i] = new_val;
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}else{
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