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delete solved comments and unused log
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src/colvarbias_abf.cpp

Lines changed: 0 additions & 14 deletions
Original file line numberDiff line numberDiff line change
@@ -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);
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}
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
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// 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
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}
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}
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}
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) {
890877
int 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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