Exemple #1
0
    def prep_traj(self):
        """
        read all traj...
        """

        geoman.geoman(self.params)

        return
Exemple #2
0
    def prep_traj(self):
        """
        read all traj...
        """
 
        geoman.geoman(self.params)
 
        return
Exemple #3
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    def prep_traj(self):
        """
        read all traj...
        """
        traj = self.status['traj']
        filename = "myplot.plt"
        fp = open(filename, "w")
        print >>fp, "plot ",
        for sid in traj:
            os.chdir(sid)
            geoman.geoman(self.params)
            print "running <%s> job.." % sid
            os.chdir("../")
            print >>fp, "\"./"+sid+"/mygeom.tmp\" u 1:2,",
        fp.close()

        return
Exemple #4
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    def prep_traj(self):
        """
        read all traj...
        """
        traj = self.status['traj']
        filename = "myplot.plt"
        fp = open(filename, "w")
        print >>fp, "plot ",
        # backup mygeom.dat in one-directory
        mydir = self.params['mydir']
        if os.path.exists(mydir):
            shutil.rmtree(mydir)
        os.mkdir(mydir)
        jobfilename = self.params['filename']
        for sid in traj:
            os.chdir(sid)
            print "running <%s> job.." % sid
            geoman.geoman(self.params)
            shutil.copy2(jobfilename, "../"+mydir+"/"+sid+".dat")
            os.chdir("../")
            print >>fp, "'./" + sid+ ".dat" +  "'" + " u 1:2,",
        fp.close()

        return
Exemple #5
0
    def prep_traj(self):
        """
        read all traj...
        """
        traj = self.status['traj']
        filename = "myplot.plt"
        fp = open(filename, "w")
        print >> fp, "plot ",
        # backup mygeom.dat in one-directory
        mydir = self.params['mydir']
        if os.path.exists(mydir):
            shutil.rmtree(mydir)
        os.mkdir(mydir)
        jobfilename = self.params['filename']
        for sid in traj:
            os.chdir(sid)
            print "running <%s> job.." % sid
            geoman.geoman(self.params)
            shutil.copy2(jobfilename, "../" + mydir + "/" + sid + ".dat")
            os.chdir("../")
            print >> fp, "'./" + sid + ".dat" + "'" + " u 1:2,",
        fp.close()

        return