@@ -823,17 +823,6 @@ void colvarbias_abf::write_gradients_samples(const std::string &prefix, bool clo
823823 if (b_czar_window_file) {
824824 write_grid_to_file<colvar_grid_gradient>(z_gradients_out, prefix + " .zgrad" , close);
825825 }
826- cvm::log (" DEBUG: gradients : " + cvm::to_str (czar_gradients_out->nx ) + " multiplicity : " + cvm::to_str (czar_gradients_out->multiplicity ()));
827- cvm::log (" DEBUG: samples : " + cvm::to_str (z_samples_out->nx ) + " multiplicity : " + cvm::to_str (z_samples_out->multiplicity ()));
828- cvm::log (" DEBUG: Gradient Data Size: " + cvm::to_str (czar_gradients_out->data .size ()));
829- cvm::log (" DEBUG: Samples Data Size: " + cvm::to_str (z_samples_out->data .size ()));
830- // Also check multiplicity to ensure we aren't comparing apples to oranges
831- cvm::log (" DEBUG: Gradient Multiplicity: " + cvm::to_str (czar_gradients_out->multiplicity ()));
832- if (czar_gradients_out->nx [0 ] != z_samples_out->nx [0 ] || (czar_gradients_out->nd != 1 && (czar_gradients_out->nx [1 ] != z_samples_out->nx [1 ]))) {
833- cvm::log (" gradients : " + cvm::to_str (czar_gradients_out->nx ) + " multiplicity : " + cvm::to_str (czar_gradients_out->multiplicity ()));
834- cvm::log (" samples : " + cvm::to_str (z_samples_out->nx ) + " multiplicity : " + cvm::to_str (z_samples_out->multiplicity ()));
835- cvm::error (" How is it possible ?" , COLVARS_ERROR | COLVARS_BUG_ERROR);
836- }
837826 // Update the CZAR estimator of gradients, except at step 0
838827 // in which case we preserve any existing data (e.g. read via inputPrefix, used to join strata in stratified eABF)
839828 if (cvm::step_relative () > 0 ) {
@@ -846,13 +835,11 @@ void colvarbias_abf::write_gradients_samples(const std::string &prefix, bool clo
846835 }
847836 }
848837 }
849- // TODO: should we write the accumulated or the average gradients
850838 write_grid_to_file<colvar_grid_gradient>(czar_gradients_out, prefix + " .czar.grad" , close);
851839
852840 if (b_integrate) {
853841 // Do numerical integration (to high precision) and output a PMF
854842 cvm::real err;
855- // TODO: but if we don't multiply by count, won't this be wrong as well ?
856843 czar_pmf_out->integrate (integrate_iterations, integrate_tol, err);
857844 czar_pmf_out->set_zero_minimum ();
858845 write_grid_to_file<colvar_grid_scalar>(czar_pmf_out, prefix + " .czar.pmf" , close);
@@ -890,7 +877,6 @@ int colvarbias_abf::colvarbias_abf::local_sample_count(int radius) {
890877int colvarbias_abf::read_gradients_samples ()
891878{
892879 int err = COLVARS_OK;
893- cvm::log (" we read the gradients files at one point" );
894880
895881 for ( size_t i = 0 ; i < input_prefix.size (); i++ ) {
896882 std::string prefix = input_prefix[i];
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