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Merge branch 'master' into improve-include-consistency

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# Conflicts:
#	src/utils.cpp
This commit is contained in:
Axel Kohlmeyer
2019-07-19 17:57:58 -04:00
parent ceb2ce5814 981b9a1f7a
commit a50d57bceb
23 changed files with 346 additions and 185 deletions
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36
src/atom.cpp
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@ -1066,7 +1066,7 @@ void Atom::data_vels(int n, char *buf, tagint id_offset)
void Atom::data_bonds(int n, char *buf, int *count, tagint id_offset,
int type_offset)
{
int m,tmp,itype;
int m,tmp,itype,rv;
tagint atom1,atom2;
char *next;
int newton_bond = force->newton_bond;
@ -1074,8 +1074,10 @@ void Atom::data_bonds(int n, char *buf, int *count, tagint id_offset,
for (int i = 0; i < n; i++) {
next = strchr(buf,'\n');
*next = '\0';
sscanf(buf,"%d %d " TAGINT_FORMAT " " TAGINT_FORMAT,
&tmp,&itype,&atom1,&atom2);
rv = sscanf(buf,"%d %d " TAGINT_FORMAT " " TAGINT_FORMAT,
&tmp,&itype,&atom1,&atom2);
if (rv != 4)
error->one(FLERR,"Incorrect format of Bonds section in data file");
if (id_offset) {
atom1 += id_offset;
atom2 += id_offset;
@ -1119,7 +1121,7 @@ void Atom::data_bonds(int n, char *buf, int *count, tagint id_offset,
void Atom::data_angles(int n, char *buf, int *count, tagint id_offset,
int type_offset)
{
int m,tmp,itype;
int m,tmp,itype,rv;
tagint atom1,atom2,atom3;
char *next;
int newton_bond = force->newton_bond;
@ -1127,8 +1129,10 @@ void Atom::data_angles(int n, char *buf, int *count, tagint id_offset,
for (int i = 0; i < n; i++) {
next = strchr(buf,'\n');
*next = '\0';
sscanf(buf,"%d %d " TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT,
&tmp,&itype,&atom1,&atom2,&atom3);
rv = sscanf(buf,"%d %d " TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT,
&tmp,&itype,&atom1,&atom2,&atom3);
if (rv != 5)
error->one(FLERR,"Incorrect format of Angles section in data file");
if (id_offset) {
atom1 += id_offset;
atom2 += id_offset;
@ -1189,7 +1193,7 @@ void Atom::data_angles(int n, char *buf, int *count, tagint id_offset,
void Atom::data_dihedrals(int n, char *buf, int *count, tagint id_offset,
int type_offset)
{
int m,tmp,itype;
int m,tmp,itype,rv;
tagint atom1,atom2,atom3,atom4;
char *next;
int newton_bond = force->newton_bond;
@ -1197,9 +1201,11 @@ void Atom::data_dihedrals(int n, char *buf, int *count, tagint id_offset,
for (int i = 0; i < n; i++) {
next = strchr(buf,'\n');
*next = '\0';
sscanf(buf,"%d %d "
TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT,
&tmp,&itype,&atom1,&atom2,&atom3,&atom4);
rv = sscanf(buf,"%d %d " TAGINT_FORMAT " " TAGINT_FORMAT
" " TAGINT_FORMAT " " TAGINT_FORMAT,
&tmp,&itype,&atom1,&atom2,&atom3,&atom4);
if (rv != 6)
error->one(FLERR,"Incorrect format of Dihedrals section in data file");
if (id_offset) {
atom1 += id_offset;
atom2 += id_offset;
@ -1278,7 +1284,7 @@ void Atom::data_dihedrals(int n, char *buf, int *count, tagint id_offset,
void Atom::data_impropers(int n, char *buf, int *count, tagint id_offset,
int type_offset)
{
int m,tmp,itype;
int m,tmp,itype,rv;
tagint atom1,atom2,atom3,atom4;
char *next;
int newton_bond = force->newton_bond;
@ -1286,9 +1292,11 @@ void Atom::data_impropers(int n, char *buf, int *count, tagint id_offset,
for (int i = 0; i < n; i++) {
next = strchr(buf,'\n');
*next = '\0';
sscanf(buf,"%d %d "
TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT,
&tmp,&itype,&atom1,&atom2,&atom3,&atom4);
rv = sscanf(buf,"%d %d "
TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT " " TAGINT_FORMAT,
&tmp,&itype,&atom1,&atom2,&atom3,&atom4);
if (rv != 6)
error->one(FLERR,"Incorrect format of Impropers section in data file");
if (id_offset) {
atom1 += id_offset;
atom2 += id_offset;