Commit 6fe308c2 by Francois Gygi

cleanup space and rename io variable

parent f6cbcf01
......@@ -304,7 +304,7 @@ void ResponseCmd::responseEfield(double amplitude, bool rpa, bool ipa,
////////////////////////////////////////////////////////////////////////////////
void ResponseCmd::responseVext(bool rpa, bool ipa, int nitscf, int nite,
string io)
string fmt)
{
s->wf.info(cout, "wavefunction");
......@@ -320,7 +320,7 @@ void ResponseCmd::responseVext(bool rpa, bool ipa, int nitscf, int nite,
stepper->set_update_vxc(false);
}
assert(io == "xml" || io == "cube");
assert(fmt == "xml" || fmt == "cube");
// save a copy of initial wave functions
Wavefunction wf0(s->wf);
......@@ -441,7 +441,7 @@ void ResponseCmd::responseVext(bool rpa, bool ipa, int nitscf, int nite,
else
filename = s->vext->filename() + ".response."
+ ((ispin == 0) ? "spin0" : "spin1");
if (io == "xml")
if (fmt == "xml")
{
tm_write_drho.start();
Function3d f;
......@@ -500,7 +500,7 @@ void ResponseCmd::responseVext(bool rpa, bool ipa, int nitscf, int nite,
os.close();
tm_write_drho.stop();
} // if io
} // if fmt
} //if ( myrow == 0 && mycol == 0 )
} // for ispin
......
......@@ -27,8 +27,9 @@ class ResponseCmd : public Cmd
{
private:
void responseEfield(double amplitude, bool rpa, bool ipa, int nitscf, int nite);
void responseVext(bool rpa, bool ipa, int nitscf, int nite, string io);
void responseEfield(double amplitude, bool rpa, bool ipa,
int nitscf, int nite);
void responseVext(bool rpa, bool ipa, int nitscf, int nite, std::string fmt);
public:
......
......@@ -30,7 +30,7 @@ run 0 1 200
149.70837 149.72245
</eigenvalues>
Eigenvalues in Hartree:
Eigenvalues in Hartree:
40.81741 eV = 1.4999999 Ha
68.02907 eV = 2.5000018 Ha
95.24116 eV = 3.5000196 Ha
......
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