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fermisurfer: 提交

fermisurfer Git

修訂	3a0ffa700908a54292b45fc0cf1394326af4dd13 (tree)
時間	2021-12-17 14:34:40
作者	Mitsuaki Kawamura <kawamitsuaki@gmai...>
Commiter	Mitsuaki Kawamura

Automatically detect the orientation of tetrahedra

--- a/src/fermisurfer.cpp

+++ b/src/fermisurfer.cpp

--- a/src/initialize.cpp

+++ b/src/initialize.cpp

		@@ -34,6 +34,7 @@ THE SOFTWARE.
34	34	#include <OpenGL/gl.h>
35	35	#endif
36	36	#include "variable.hpp"
	37	+#include "basic_math.hpp"
37	38	/**
38	39	@brief Specify corners of tetrahedron
39	40

		@@ -239,6 +241,19 @@ void bragg_vector()
239	241	if (brnrm_min > brnrm[ibr]) brnrm_min = brnrm[ibr];
240	242	}
241	243	*terminal << wxString::Format(wxT(" Minimum Bragg norm : %f\n"), brnrm_min);
	244	+ //
	245	+ // Serch shortest diagonal line
	246	+ //
	247	+ for (i = 0; i < 3; i++) {
	248	+ bdiag[0][i] = bvec[0][i] / (float)ng0[0] + bvec[1][i] / (float)ng0[1] + bvec[2][i] / (float)ng0[2];
	249	+ bdiag[1][i] = bvec[0][i] / (float)ng0[0] + bvec[1][i] / (float)ng0[1] - bvec[2][i] / (float)ng0[2];
	250	+ bdiag[2][i] = bvec[0][i] / (float)ng0[0] - bvec[1][i] / (float)ng0[1] + bvec[2][i] / (float)ng0[2];
	251	+ bdiag[3][i] = -bvec[0][i] / (float)ng0[0] + bvec[1][i] / (float)ng0[1] + bvec[2][i] / (float)ng0[2];
	252	+ }
	253	+ for (i = 0; i < 4; i++)
	254	+ ldiag[i] = bdiag[i][0] * bdiag[i][0] + bdiag[i][1] * bdiag[i][1] + bdiag[i][2] * bdiag[i][2];
	255	+ eigsort(4, ldiag, sw);
	256	+ itet = sw[0];
242	257	}/* bragg_vector */
243	258	/**
244	259	@brief Print max and minimum @f$\varepsilon_{n k}, \Delta_{n k}@f$

--- a/src/menu.cpp

+++ b/src/menu.cpp

		@@ -946,11 +946,12 @@ MyFrame::MyFrame(wxFrame* frame, const wxString& title, const wxPoint& pos,
946	946	wxString choices_tetra[] = { wxT("1"), wxT("2"), wxT("3"), wxT("4"), wxT("5"), wxT("6"), wxT("7") ,
947	947	wxT("8"), wxT("9"), wxT("10"), wxT("11"), wxT("12"), wxT("13"), wxT("14"),
948	948	wxT("15"), wxT("16") };
949		- Bind(wxEVT_COMMAND_RADIOBOX_SELECTED, &MyFrame::radio_tetra, this, iradio_tetra);
950		- gbsizer->Add(new wxRadioBox(panel, iradio_tetra, wxT("Tetrahedron"),
	949	+ radiobox_tetra = new wxRadioBox(panel, iradio_tetra, wxT("Tetrahedron"),
951	950	wxDefaultPosition, wxDefaultSize,
952	951	WXSIZEOF(choices_tetra), choices_tetra,
953		- 4, wxRA_SPECIFY_COLS), wxGBPosition(3,2), wxGBSpan(5, 2));
	952	+ 4, wxRA_SPECIFY_COLS);
	953	+ Bind(wxEVT_COMMAND_RADIOBOX_SELECTED, &MyFrame::radio_tetra, this, iradio_tetra);
	954	+ gbsizer->Add(radiobox_tetra, wxGBPosition(3,2), wxGBSpan(5, 2));
954	955
955	956	wxString choices_colorscale[] = { wxT("Input (1D)"), wxT("Input (2D)"),
956	957	wxT("Input (3D)"), wxT("Fermi Velocity"), wxT("Band Index"),

		@@ -1193,6 +1194,7 @@ void MyFrame::modify_band() {
1193	1194	GLfloat mat2;
1194	1195
1195	1196	radiobox_color->SetSelection(color_scale - 1);
	1197	+ radiobox_tetra->SetSelection(itet);
1196	1198
1197	1199	check = new wxCheckBox * [nb];
1198	1200	textbox_BandR = new wxTextCtrl * [nb];

		@@ -48,6 +48,7 @@ public:
48	48	wxGridBagSizer* gbsizer;
49	49	wxPanel* panel;
50	50	wxRadioBox* radiobox_color;
	51	+ wxRadioBox* radiobox_tetra;
51	52	wxSplitterWindow* splitterV;
52	53	wxSplitterWindow* splitterH;
53	54	/*