char *
eclipsehome(void)
{
if (!eclipsehome_)
{
eclipsehome_ = whereami();
if (!eclipsehome_)
{
char buf1[MAX_PATH_LEN];
int size=MAX_PATH_LEN;
if (ec_env_lookup("ECLIPSEDIR", buf1, &size))
{
(void) canonical_filename(buf1, buf);
if (buf[0] != '/')
{
char buf2[MAX_PATH_LEN];
strcpy(buf2, buf);
get_cwd(buf, MAX_PATH_LEN);
strcat(buf, buf2);
}
eclipsehome_ = buf;
}
else
{
#ifdef _WIN32
eclipsehome_ = "//C/Eclipse";
#else
eclipsehome_ = "/usr/local/eclipse";
#endif
}
}
}
return eclipsehome_;
}
void Reptation_method::read(vector <string> words,
unsigned int & pos,
Program_options & options)
{
have_read_options=1;
if(!readvalue(words, pos=0, nblock, "NBLOCK"))
error("Need NBLOCK in RETPTATION section");
if(!readvalue(words, pos=0, nstep, "NSTEP"))
error("Need NSTEP in REPTATION section");
if(!readvalue(words, pos=0, timestep, "TIMESTEP"))
error("Need TIMESTEP in REPTATION section");
if(!readvalue(words, pos=0, reptile_length, "LENGTH"))
error("Need LENGTH in REPTATION");
//------------------optional stuff
print_pdb=haskeyword(words, pos=0,"PRINT_PDB");
if(!readvalue(words, pos=0, readconfig, "READCONFIG"))
readconfig=options.runid+".config";
vector <string> proptxt;
if(readsection(words, pos=0, proptxt, "PROPERTIES"))
mygather.read(proptxt);
if(!readvalue(words, pos=0, log_label, "LABEL"))
log_label="rmc";
if(!readvalue(words, pos=0, storeconfig, "STORECONFIG"))
storeconfig=options.runid+".config";
if(readvalue(words, pos=0, center_trace, "CENTER_TRACE"))
canonical_filename(center_trace);
if(!readvalue(words, pos=0, trace_wait, "TRACE_WAIT"))
trace_wait=int(.3/timestep)+1;
vector <string> dynamics_words;
if(!readsection(words, pos=0, dynamics_words, "DYNAMICS") )
dynamics_words.push_back("SPLIT");
allocate(dynamics_words, sampler);
vector<string> tmp_dens;
pos=0;
while(readsection(words, pos, tmp_dens, "DENSITY")) {
dens_words.push_back(tmp_dens);
}
pos=0;
while(readsection(words, pos, tmp_dens, "AVERAGE")) {
avg_words.push_back(tmp_dens);
}
sampler->enforceNodes(1);
guidewf=new Primary;
}
