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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@622 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2007-06-20 13:17:59 +00:00
parent bde732bced
commit aaed6ebc33
131 changed files with 4277 additions and 2222 deletions
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28
src/input.cpp
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@ -196,7 +196,7 @@ void Input::file()
process all input from filename
------------------------------------------------------------------------- */
void Input::file(char *filename)
void Input::file(const char *filename)
{
// error if another nested file still open
// if single open file is not stdin, close it
@ -223,7 +223,7 @@ void Input::file(char *filename)
return command name to caller
------------------------------------------------------------------------- */
char *Input::one(char *single)
char *Input::one(const char *single)
{
strcpy(line,single);
@ -417,7 +417,6 @@ int Input::execute_command()
else if (!strcmp(command,"dipole")) dipole();
else if (!strcmp(command,"dump")) dump();
else if (!strcmp(command,"dump_modify")) dump_modify();
// else if (!strcmp(command,"ellipsoid")) ellipsoid();
else if (!strcmp(command,"fix")) fix();
else if (!strcmp(command,"fix_modify")) fix_modify();
else if (!strcmp(command,"group")) group_command();
@ -441,6 +440,7 @@ int Input::execute_command()
else if (!strcmp(command,"reset_timestep")) reset_timestep();
else if (!strcmp(command,"restart")) restart();
else if (!strcmp(command,"run_style")) run_style();
else if (!strcmp(command,"shape")) shape();
else if (!strcmp(command,"special_bonds")) special_bonds();
else if (!strcmp(command,"thermo")) thermo();
else if (!strcmp(command,"thermo_modify")) thermo_modify();
@ -824,18 +824,6 @@ void Input::dump_modify()
/* ---------------------------------------------------------------------- */
/*
void Input::ellipsoid()
{
if (narg != 4) error->all("Illegal ellipsoid command");
if (domain->box_exist == 0)
error->all("Ellipsoid command before simulation box is defined");
atom->set_radii3(narg,arg);
}
*/
/* ---------------------------------------------------------------------- */
void Input::fix()
{
modify->add_fix(narg,arg);
@ -1067,6 +1055,16 @@ void Input::run_style()
/* ---------------------------------------------------------------------- */
void Input::shape()
{
if (narg != 4) error->all("Illegal shape command");
if (domain->box_exist == 0)
error->all("Shape command before simulation box is defined");
atom->set_shape(narg,arg);
}
/* ---------------------------------------------------------------------- */
void Input::special_bonds()
{
// store 1-3,1-4 values before change