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Merge branch 'master' into symbolic-atom-constants

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This commit is contained in:
Axel Kohlmeyer
2020-09-15 17:44:31 -04:00
parent 618b08dcfc cebf6d33ba
commit 0f6a34775c
1186 changed files with 8448 additions and 8360 deletions
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8
src/SPIN/neb_spin.cpp
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@ -384,7 +384,7 @@ void NEBSpin::readfile(char *file, int flag)
open(file);
while (1) {
eof = fgets(line,MAXLINE,fp);
if (eof == NULL) error->one(FLERR,"Unexpected end of neb/spin file");
if (eof == nullptr) error->one(FLERR,"Unexpected end of neb/spin file");
start = &line[strspn(line," \t\n\v\f\r")];
if (*start != '\0' && *start != '#') break;
}
@ -398,7 +398,7 @@ void NEBSpin::readfile(char *file, int flag)
open(file);
while (1) {
eof = fgets(line,MAXLINE,fp);
if (eof == NULL) error->one(FLERR,"Unexpected end of neb/spin file");
if (eof == nullptr) error->one(FLERR,"Unexpected end of neb/spin file");
start = &line[strspn(line," \t\n\v\f\r")];
if (*start != '\0' && *start != '#') break;
}
@ -452,7 +452,7 @@ void NEBSpin::readfile(char *file, int flag)
values[0] = strtok(buf," \t\n\r\f");
for (j = 1; j < nwords; j++)
values[j] = strtok(NULL," \t\n\r\f");
values[j] = strtok(nullptr," \t\n\r\f");
// adjust spin coord based on replica fraction
// for flag = 0, interpolate for intermediate and final replicas
@ -705,7 +705,7 @@ void NEBSpin::open(char *file)
#endif
}
if (fp == NULL) {
if (fp == nullptr) {
char str[128];
snprintf(str,128,"Cannot open file %s",file);
error->one(FLERR,str);