silence compiler warnings
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@ -33,7 +33,8 @@ static std::string find_section(FILE *fp, const std::string &name)
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{
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{
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char linebuf[BUFLEN];
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char linebuf[BUFLEN];
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fgets(linebuf, BUFLEN, fp);
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if (!fgets(linebuf, BUFLEN, fp))
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throw TokenizerException("Read error", utils::getsyserror());
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while (!feof(fp)) {
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while (!feof(fp)) {
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if (utils::strmatch(linebuf, "^\\s*\\[.*\\]\\s*$")) {
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if (utils::strmatch(linebuf, "^\\s*\\[.*\\]\\s*$")) {
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auto words = Tokenizer(linebuf).as_vector();
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auto words = Tokenizer(linebuf).as_vector();
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@ -148,8 +148,10 @@ void AngleWrite::command(int narg, char **arg)
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FILE *coeffs;
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FILE *coeffs;
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char line[MAXLINE] = {'\0'};
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char line[MAXLINE] = {'\0'};
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coeffs = fopen(coeffs_file.c_str(), "r");
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coeffs = fopen(coeffs_file.c_str(), "r");
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if (!coeffs)
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error->one(FLERR, "Unable to open temporary file {}: {}", coeffs_file, utils::getsyserror());
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for (int i = 0; i < atom->nangletypes; ++i) {
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for (int i = 0; i < atom->nangletypes; ++i) {
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fgets(line, MAXLINE, coeffs);
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utils::sfgets(FLERR, line, MAXLINE, coeffs, coeffs_file.c_str(), error);
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writer->input->one(fmt::format("angle_coeff {}", line));
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writer->input->one(fmt::format("angle_coeff {}", line));
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}
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}
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fclose(coeffs);
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fclose(coeffs);
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@ -149,8 +149,10 @@ void DihedralWrite::command(int narg, char **arg)
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FILE *coeffs;
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FILE *coeffs;
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char line[MAXLINE] = {'\0'};
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char line[MAXLINE] = {'\0'};
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coeffs = fopen(coeffs_file.c_str(), "r");
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coeffs = fopen(coeffs_file.c_str(), "r");
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if (!coeffs)
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error->one(FLERR, "Unable to open temporary file {}: {}", utils::getsyserror());
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for (int i = 0; i < atom->ndihedraltypes; ++i) {
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for (int i = 0; i < atom->ndihedraltypes; ++i) {
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fgets(line, MAXLINE, coeffs);
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utils::sfgets(FLERR, line, MAXLINE, coeffs, coeffs_file.c_str(), error);
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writer->input->one(fmt::format("dihedral_coeff {}", line));
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writer->input->one(fmt::format("dihedral_coeff {}", line));
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}
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}
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fclose(coeffs);
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fclose(coeffs);
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@ -144,7 +144,7 @@ void ReadMdfFile(void)
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molecule[n].residue[j].end = i;
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molecule[n].residue[j].end = i;
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molecule[n].residue[++j].start = i;
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molecule[n].residue[++j].start = i;
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strncpy(molecule[n].residue[j].name,atoms[i].residue_string,MAX_NAME);
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memcpy(molecule[n].residue[j].name,atoms[i].residue_string,MAX_NAME);
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}
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}
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}
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}
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molecule[n].residue[j].end = molecule[n].end;
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molecule[n].residue[j].end = molecule[n].end;
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@ -167,10 +167,9 @@ void ReadMdfFile(void)
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for (n=0; n < no_molecules; n++) {
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for (n=0; n < no_molecules; n++) {
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for (j=0; j < molecule[n].no_residues; j++) {
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for (j=0; j < molecule[n].no_residues; j++) {
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for (i=molecule[n].residue[j].start; i < molecule[n].residue[j].end;
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for (i=molecule[n].residue[j].start; i < molecule[n].residue[j].end; i++) {
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i++) {
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for (l=0; l < atoms[i].no_connect; l++) {
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for (l=0; l < atoms[i].no_connect; l++) {
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strncpy(temp_string,atoms[i].connections[l],MAX_STRING);
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memcpy(temp_string,atoms[i].connections[l],MAX_STRING);
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temp_residue = strtok(temp_string,":");
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temp_residue = strtok(temp_string,":");
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temp_atom_name = strtok(NULL,"%");
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temp_atom_name = strtok(NULL,"%");
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