ICODE-ADC/lammps
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silence compiler warnings

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This commit is contained in:
Axel Kohlmeyer
2024-09-06 14:58:42 -04:00
parent 42a7294bc1
commit 8fcdb5c271
4 changed files with 11 additions and 7 deletions
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3
src/EXTRA-COMMAND/ndx_group.cpp
View File

@ -33,7 +33,8 @@ static std::string find_section(FILE *fp, const std::string &name)
{
char linebuf[BUFLEN];
fgets(linebuf, BUFLEN, fp);
if (!fgets(linebuf, BUFLEN, fp))
throw TokenizerException("Read error", utils::getsyserror());
while (!feof(fp)) {
if (utils::strmatch(linebuf, "^\\s*\\[.*\\]\\s*$")) {
auto words = Tokenizer(linebuf).as_vector();

4
src/angle_write.cpp
View File

@ -148,8 +148,10 @@ void AngleWrite::command(int narg, char **arg)
FILE *coeffs;
char line[MAXLINE] = {'\0'};
coeffs = fopen(coeffs_file.c_str(), "r");
if (!coeffs)
error->one(FLERR, "Unable to open temporary file {}: {}", coeffs_file, utils::getsyserror());
for (int i = 0; i < atom->nangletypes; ++i) {
fgets(line, MAXLINE, coeffs);
utils::sfgets(FLERR, line, MAXLINE, coeffs, coeffs_file.c_str(), error);
writer->input->one(fmt::format("angle_coeff {}", line));
}
fclose(coeffs);

4
src/dihedral_write.cpp
View File

@ -149,8 +149,10 @@ void DihedralWrite::command(int narg, char **arg)
FILE *coeffs;
char line[MAXLINE] = {'\0'};
coeffs = fopen(coeffs_file.c_str(), "r");
if (!coeffs)
error->one(FLERR, "Unable to open temporary file {}: {}", utils::getsyserror());
for (int i = 0; i < atom->ndihedraltypes; ++i) {
fgets(line, MAXLINE, coeffs);
utils::sfgets(FLERR, line, MAXLINE, coeffs, coeffs_file.c_str(), error);
writer->input->one(fmt::format("dihedral_coeff {}", line));
}
fclose(coeffs);

7
tools/msi2lmp/src/ReadMdfFile.c
View File

@ -144,7 +144,7 @@ void ReadMdfFile(void)
molecule[n].residue[j].end = i;
molecule[n].residue[++j].start = i;
strncpy(molecule[n].residue[j].name,atoms[i].residue_string,MAX_NAME);
memcpy(molecule[n].residue[j].name,atoms[i].residue_string,MAX_NAME);
}
}
molecule[n].residue[j].end = molecule[n].end;
@ -167,10 +167,9 @@ void ReadMdfFile(void)
for (n=0; n < no_molecules; n++) {
for (j=0; j < molecule[n].no_residues; j++) {
for (i=molecule[n].residue[j].start; i < molecule[n].residue[j].end;
i++) {
for (i=molecule[n].residue[j].start; i < molecule[n].residue[j].end; i++) {
for (l=0; l < atoms[i].no_connect; l++) {
strncpy(temp_string,atoms[i].connections[l],MAX_STRING);
memcpy(temp_string,atoms[i].connections[l],MAX_STRING);
temp_residue = strtok(temp_string,":");
temp_atom_name = strtok(NULL,"%");