ICODE-ADC/lammps
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Merge branch 'master' into plugin-loader

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This commit is contained in:
Axel Kohlmeyer
2021-03-16 19:46:21 -04:00
parent 15e30ed44d 42895ac6df
commit 31009b0517
162 changed files with 2715 additions and 2777 deletions
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37
src/library.cpp
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@ -446,26 +446,14 @@ is passed to :cpp:func:`lammps_commands_string` for processing.
void lammps_commands_list(void *handle, int ncmd, const char **cmds)
{
LAMMPS *lmp = (LAMMPS *) handle;
int n = ncmd+1;
for (int i = 0; i < ncmd; i++) n += strlen(cmds[i]);
char *str = (char *) lmp->memory->smalloc(n,"lib/commands/list:str");
str[0] = '\0';
n = 0;
std::string allcmds;
for (int i = 0; i < ncmd; i++) {
strcpy(&str[n],cmds[i]);
n += strlen(cmds[i]);
if (str[n-1] != '\n') {
str[n] = '\n';
str[n+1] = '\0';
n++;
}
allcmds.append(cmds[i]);
if (allcmds.back() != '\n') allcmds.append(1,'\n');
}
lammps_commands_string(handle,str);
lmp->memory->sfree(str);
lammps_commands_string(handle,allcmds.c_str());
}
/* ---------------------------------------------------------------------- */
@ -496,11 +484,15 @@ void lammps_commands_string(void *handle, const char *str)
{
LAMMPS *lmp = (LAMMPS *) handle;
// make copy of str so can strtok() it
// copy str and convert from CR-LF (DOS-style) to LF (Unix style) line
int n = strlen(str);
char *ptr, *copy = new char[n+1];
int n = strlen(str) + 1;
char *copy = new char[n];
strcpy(copy,str);
for (ptr = copy; *str != '\0'; ++str) {
if ((str[0] == '\r') && (str[1] == '\n')) continue;
*ptr++ = *str;
}
*ptr = '\0';
BEGIN_CAPTURE
{
@ -508,8 +500,9 @@ void lammps_commands_string(void *handle, const char *str)
lmp->error->all(FLERR,"Library error: issuing LAMMPS command during run");
}
char *ptr = copy;
for (int i=0; i < n-1; ++i) {
n = strlen(copy);
ptr = copy;
for (int i=0; i < n; ++i) {
// handle continuation character as last character in line or string
if ((copy[i] == '&') && (copy[i+1] == '\n'))