prepared sources for skyrmion paper

.gitignore

+# Compiled Object files
+*.slo
+*.lo
+*.o
+*.obj
+*.moc
+
+# Compiled Dynamic libraries
+*.so
+*.dylib
+*.dll
+
+# Compiled Static libraries
+*.lai
+*.la
+*.a
+*.lib
+
+# Executables
+*.exe
+*.out
+*.app
+
+# Temporary files
+bin/**
+lib/**
+tmp/**
+*.pyc
+*.csv
+.DS_Store
+
+# External dependencies
+ext/**
+!ext/setup_externals.sh
+
+# Figures
+*.pdf
+*.jpg
+*.png

AUTHORS

+Tobias Weber <tweber@ill.fr>

Makefile

+#
+# MnSi dynamics module for Takin
+# @author Tobias Weber <tweber@ill.fr>
+# @date 2018-2020
+# @license GPLv2 (see 'LICENSE' file)
+#
+
+CXX = g++
+STD = -std=c++17
+OPT = -O2 -march=native
+DEFS = -DDEF_SKX_ORDER=7 -DDEF_HELI_ORDER=7 \
+	-DNO_MINIMISATION -DNO_REDEFINITIONS \
+	-D__HACK_FULL_INST__
+INCS = -Isrc -Iext -Iext/takin -I/usr/local/include \
+	-I/usr/include/lapacke -I/usr/local/opt/lpack/include \
+	-I/usr/include/qt5 -I/usr/include/x86_64-linux-gnu/qt5/ \
+	#-I/home/tw/build/boost_1_73_0
+LIBDIRS = -L/usr/local/opt/lapack/lib -L/usr/local/lib
+LIBDEFS = -fPIC
+
+
+# -----------------------------------------------------------------------------
+.PHONY: all clean
+
+all: prepare lib/skxmod.so lib/skxmod_grid.so \
+	bin/genskx bin/merge bin/convert bin/dump \
+	bin/heliphase bin/skx_gs \
+	bin/drawskx bin/dyn bin/weight #bin/weight_sum
+
+clean:
+	find . -name "*.o" -exec rm -fv {} \;
+	rm -rfv bin/
+	rm -rfv lib/
+
+prepare:
+	mkdir -p bin/
+	mkdir -p lib/
+# -----------------------------------------------------------------------------
+
+
+# -----------------------------------------------------------------------------
+# Takin plugin modules
+# -----------------------------------------------------------------------------
+lib/skxmod.so: src/core/skx.o src/core/fp.o src/core/heli.o src/core/magsys.o src/takin/takin.o \
+	ext/takin/tools/monteconvo/sqwbase.o ext/tlibs2/libs/log.o
+	@echo "Linking Takin module $@..."
+	$(CXX) $(STD) $(OPT) $(DEFS) $(LIBDIRS) $(LIBDEFS) -shared -o $@ $+ -llapacke
+	strip $@
+
+lib/skxmod_grid.so: src/takin/takin_grid.o ext/takin/tools/monteconvo/sqwbase.o ext/tlibs2/libs/log.o
+	@echo "Linking Takin grid module $@..."
+	$(CXX) $(STD) $(OPT) $(DEFS) $(LIBDIRS) $(LIBDEFS) -shared -o $@ $+ -lboost_system -lQt5Core
+	strip $@
+# -----------------------------------------------------------------------------
+
+
+# -----------------------------------------------------------------------------
+# tools
+# -----------------------------------------------------------------------------
+bin/genskx: src/takin/genskx.o src/core/skx.o src/core/magsys.o ext/tlibs2/libs/log.o
+	$(CXX) $(STD) $(OPT) $(DEFS) $(LIBDIRS) $(LIBDEFS) -o $@ $+ -lboost_filesystem -llapacke -lpthread
+	strip $@
+
+bin/merge: src/takin/merge.o
+	$(CXX) $(STD) $(OPT) $(DEFS) $(LIBDIRS) -o $@ $+ -lboost_system
+	strip $@
+
+bin/convert: src/takin/convert.o
+	$(CXX) $(STD) $(OPT) $(DEFS) $(LIBDIRS) -o $@ $+
+	strip $@
+
+bin/dump: src/takin/dump.o
+	$(CXX) $(STD) $(OPT) $(DEFS) $(LIBDIRS) -o $@ $+
+	strip $@
+
+bin/drawskx: src/calc/drawskx.o
+	$(CXX) $(STD) $(OPT) $(DEFS) $(LIBDIRS) -o $@ $+
+	strip $@
+
+bin/dyn: src/calc/dyn.o src/core/skx.o src/core/fp.o src/core/heli.o src/core/magsys.o ext/tlibs2/libs/log.o
+	$(CXX) $(STD) $(OPT) $(DEFS) $(LIBDIRS) $(LIBDEFS) -o $@ $+ -llapacke -lpthread -lgomp
+	strip $@
+
+bin/weight: src/calc/weight.o src/core/skx.o src/core/fp.o src/core/heli.o src/core/magsys.o ext/tlibs2/libs/log.o
+	$(CXX) $(STD) $(OPT) $(DEFS) $(LIBDIRS) $(LIBDEFS) -o $@ $+ -llapacke -lpthread -lgomp
+	strip $@
+
+bin/weight_sum: src/calc/weight_sum.o src/core/skx.o src/core/fp.o src/core/heli.o src/core/magsys.o ext/tlibs2/libs/log.o
+	$(CXX) $(STD) $(OPT) $(DEFS) $(LIBDIRS) $(LIBDEFS) -o $@ $+ -llapacke -lpthread -lgomp
+	strip $@
+# -----------------------------------------------------------------------------
+
+
+# -----------------------------------------------------------------------------
+# further tools needing specialised compilation options
+# -----------------------------------------------------------------------------
+bin/heliphase: src/calc/heliphase.cpp src/core/heli.cpp src/core/magsys.cpp ext/tlibs2/libs/log.cpp
+	$(CXX) $(STD) $(OPT) $(INCS) -DDEF_HELI_ORDER=4 -DNO_REDEFINITIONS -D__HACK_FULL_INST__ $(LIBDIRS) -o $@ $+ -lMinuit2 -llapacke -lgomp
+	strip $@
+
+bin/skx_gs: src/calc/skx_gs.cpp src/core/skx.cpp src/core/heli.cpp src/core/magsys.cpp ext/tlibs2/libs/log.cpp
+	$(CXX) $(STD) $(OPT) $(INCS) -DDEF_SKX_ORDER=7 -DDEF_HELI_ORDER=7 -DNO_REDEFINITIONS -D__HACK_FULL_INST__ $(LIBDIRS) -o $@ $+ -lMinuit2 -llapacke -lgomp
+	strip $@
+# -----------------------------------------------------------------------------
+
+
+# -----------------------------------------------------------------------------
+# general rules
+# -----------------------------------------------------------------------------
+%.o: %.cpp
+	@echo "Compiling $< -> $@..."
+	$(CXX) $(STD) $(OPT) $(DEFS) $(INCS) $(LIBDEFS) -c $< -o $@
+# -----------------------------------------------------------------------------

README

+This is the code for the Takin MnSi plugin module and its helper tools,
+by T. Weber, 2016-2020. It calculates the dispersion and the dynamical 
+structure factor for the helimagnetic, the field-polarised, and the 
+skyrmion phase of MnSi.
+
+The ext/ directory contains the source code of the external libraries on 
+which this code depends.
+
+The development repository can be found here:
+https://code.ill.fr/tweber/takin-mnsi
+
+This code has been used in the following papers:
+	- https://doi.org/10.1103/PhysRevB.100.060404
+	- https://doi.org/10.1103/PhysRevB.97.224403
+	- https://doi.org/10.1063/1.5041036

src/calc/drawskx.cpp

+/**
+ * @author Tobias Weber <tweber@ill.fr>
+ * @date mid-2016 (from my phd thesis), oct-2018 (adapted for paper)
+ * @license GPLv2 (see 'LICENSE' file)
+ */
+
+#include <fstream>
+#include "tlibs2/libs/math17.h"
+
+using t_real = double;
+using t_vec = ublas::vector<t_real>;
+using t_mat = ublas::matrix<t_real>;
+
+
+
+t_vec helix_vec(const t_vec& vecCoord)
+{
+	t_vec vecRet = ublas::zero_vector<t_real>(3);
+
+	// helix angles
+	for(t_real dAngle : {0., 120., 240.})
+	{
+		dAngle = tl2::d2r(dAngle);
+		t_mat matRot = tl2::rotation_matrix_3d_z(dAngle);
+		t_vec vecCoordRot = ublas::prod(ublas::trans(matRot), vecCoord);
+
+		// helix position
+		t_vec vec(3);
+		vec[2] = std::cos(vecCoordRot[0]);
+		vec[1] = std::sin(vecCoordRot[0]);
+		vec[0] = 0;
+
+		vecRet += ublas::prod(matRot, vec);
+	}
+
+	vecRet /= ublas::norm_2(vecRet);
+	return vecRet;
+}
+
+
+
+void calcskx(const char* pcFile)
+{
+	const int iCntX = 24, iCntY = 24;
+	const t_real dXScale = 2., dYScale = 2.;
+	const t_real dDirScale = 0.3;
+
+	std::ofstream ofstr(pcFile);
+	ofstr.precision(8);
+
+	for(int iX=0; iX<iCntX; ++iX)
+	{
+		t_real dX = -tl2::pi<t_real> + t_real(iX)/t_real(iCntX-1) * 2.*tl2::pi<t_real>;
+
+		for(int iY=0; iY<iCntY; ++iY)
+		{
+			t_real dY = -tl2::pi<t_real> + t_real(iY)/t_real(iCntY-1) * 2.*tl2::pi<t_real>;
+
+			t_vec vecCoord(3);
+			vecCoord[0] = dXScale*dX;
+			vecCoord[1] = dYScale*dY;
+			vecCoord[2] = 0.;
+
+			t_vec vec = helix_vec(vecCoord)*dDirScale;
+
+			ofstr << vecCoord[0] << "\t" << vecCoord[1] << "\t" << vecCoord[2] << "\t\t";
+			ofstr << vec[0] << "\t" << vec[1] << "\t" << vec[2] << std::endl;
+		}
+	}
+}
+
+
+
+int main(int argc, char **argv)
+{
+	calcskx("drawskx.dat");
+	return 0;
+}

src/calc/drawskx.gpl

+#!/usr/local/bin/gnuplot -p
+#
+# Plots skx lattice
+# @author Tobias Weber <tweber@ill.fr>
+# @date mid-16 (from my phd thesis), aug-18
+# @license GPLv2 (see 'LICENSE' file)
+#
+
+set term pdf enhanced font "Helvetica,24" size 10,10
+set output "skxlattice.pdf"
+
+show_axes = 1
+sc = 1
+xoffs = pi
+set xrange [(-4*pi-xoffs)*sc : (4*pi-xoffs)*sc]
+set yrange [-4*pi*sc : 4*pi*sc]
+set zrange [-1.5*sc : 1.5*sc]
+
+set xyplane 0
+unset key
+
+unset label 1
+unset label 2
+unset label 10
+unset obj 1
+unset obj 2
+unset obj 10
+
+unset xlabel
+unset ylabel
+unset zlabel
+
+set format x ""
+set format y ""
+set format z ""
+
+unset border
+unset tics
+
+set view 45,45, 1,1
+set pm3d depthorder hidden3d
+
+if(show_axes) {
+	set arrow 1 from graph 0.55, graph 0.5 to graph 0.55, graph 0.75 ls 1 lc rgb "#000000" lw 5 filled head front
+	set arrow 2 from graph 0.55, graph 0.5 to graph 0.3, graph 0.5 ls 1 lc rgb "#000000" lw 5 filled head front
+	set arrow 31 from graph 0.55, graph 0.5, graph 0 to graph 0.55, graph 0.5, graph 0.25 ls 1 lc rgb "#ffffff" lw 8 filled head front
+	set arrow 32 from graph 0.55, graph 0.5, graph 0 to graph 0.55, graph 0.5, graph 0.25 ls 1 lc rgb "#000000" lw 5 filled head front
+
+	set label 1 at graph 0.62, graph 0.75 center "q_{⟂1}" tc rgb "#000000" front
+	set label 2 at graph 0.3, graph 0.43 center "q_{⟂2}" tc rgb "#000000" front
+	set label 3 at graph 0.55, graph 0.4, graph 0.25 center "q_{||}" tc rgb "#000000" front
+}
+
+colrgb(r,g,b) = ((int(r*255)&0xff)<<16) | ((int(g*255)&0xff)<<8) | (int(b*255)&0xff)
+skxcol(len, zval) = (zval < 0) ? colrgb(len*1,0,-zval*2) : colrgb(len*1,zval*2,0)
+
+splot "drawskx.dat" using ($1*sc):($2*sc):($3*sc):4:5:6:(skxcol(sqrt($4*$4+$5*$5), $6)) \
+	with vectors lc rgb variable lw 2 filled head

src/calc/dyn.cpp

+/**
+ * Calculates dispersion curves
+ * @author Tobias Weber <tweber@ill.fr>
+ * @date aug-18
+ * @license GPLv2 (see 'LICENSE' file)
+ */
+
+#include "core/heli.h"
+#include "core/skx.h"
+#include "core/fp.h"
+
+#include <fstream>
+#include <future>
+#include <memory>
+#include <pwd.h>
+
+using t_real = double;
+using t_cplx = std::complex<t_real>;
+using t_vec = ublas::vector<t_real>;
+const auto g_j = t_cplx(0,1);
+
+#include "core/skx_default_gs.cxx"
+
+
+void calc_disp(char dyntype,
+	t_real Gx, t_real Gy, t_real Gz,
+	t_real Bx, t_real By, t_real Bz,
+	t_real Px, t_real Py, t_real Pz,
+	t_real qperpdir_x, t_real qperpdir_y, t_real qperpdir_z, t_real qperp,
+	const char* pcFile, bool bSwapQParaQPerp=0,
+	t_real T=-1., t_real B=-1.,
+	t_real qrange = 0.125, t_real delta = 0.001)
+{
+	tl2::Stopwatch<t_real> timer;
+	timer.start();
+
+	t_vec G = tl2::make_vec<t_vec>({ Gx, Gy, Gz });
+	t_vec Pdir = tl2::make_vec<t_vec>({ Px, Py, Pz });
+	t_vec Bdir = tl2::make_vec<t_vec>({ Bx, By, Bz });
+	t_vec qparadir = Bdir / tl2::veclen(Bdir);
+	t_vec qperpdir = tl2::make_vec<t_vec>({ qperpdir_x, qperpdir_y, qperpdir_z });
+	qperpdir /= tl2::veclen(qperpdir);
+
+	t_real bc2 = -1.;
+	std::shared_ptr<MagDynamics<t_real, t_cplx>> dyn;
+
+	if(dyntype == 's')
+	{
+		std::cout << "Calculating skyrmion dispersion." << std::endl;
+		auto skx = std::make_shared<Skx<t_real, t_cplx, DEF_SKX_ORDER>>();
+
+		std::vector<ublas::vector<t_cplx>> fourier_skx;
+		fourier_skx.reserve(_skxgs_allcomps.size()/3);
+
+		for(std::size_t comp=0; comp<_skxgs_allcomps.size(); comp+=3)
+			fourier_skx.push_back(tl2::make_vec<ublas::vector<t_cplx>>({_skxgs_allcomps[comp], _skxgs_allcomps[comp+1], _skxgs_allcomps[comp+2]}));
+
+		skx->SetFourier(fourier_skx);
+
+		skx->SetT(-1000.);
+		skx->SetB(25.);	// BC2 = 40.3425
+		skx->GenFullFourier();
+		skx->SetCoords(Bdir[0],Bdir[1],Bdir[2], Pdir[0],Pdir[1],Pdir[2]);
+		skx->SetG(G[0], G[1], G[2]);
+
+		bc2 = skx->GetBC2();
+		dyn = skx;
+	}
+	else if(dyntype == 'h')
+	{
+		std::cout << "Calculating helical dispersion." << std::endl;
+		auto heli = std::make_shared<Heli<t_real, t_cplx, DEF_HELI_ORDER>>();
+
+		heli->SetT(T);
+		heli->SetB(B);
+		heli->SetCoords(Bdir[0], Bdir[1], Bdir[2]);
+		heli->SetG(G[0], G[1], G[2]);
+
+		bc2 = heli->GetBC2();
+		dyn = heli;
+	}
+	else if(dyntype == 'f')
+	{
+		std::cout << "Calculating field-polarised dispersion." << std::endl;
+		auto fp = std::make_shared<FP<t_real, t_cplx>>();
+
+		fp->SetT(T);
+		fp->SetB(B);
+		fp->SetCoords(Bdir[0], Bdir[1], Bdir[2]);
+		fp->SetG(G[0], G[1], G[2]);
+
+		bc2 = fp->GetBC2();
+		dyn = fp;
+	}
+	else
+	{
+		std::cerr << "Unknown dynamics type selected." << std::endl;
+		return;
+	}
+
+
+	auto calc_spectrum = [dyntype, &dyn, &G, T, &qparadir, &qperpdir, &qperp, bSwapQParaQPerp]
+		(int thid, t_real qstart, t_real qend, t_real qdelta) -> auto
+	{
+		std::vector<t_real> allh, allk, alll, allqpara_kh, allqperp_kh, allqpara_rlu, allqperp_rlu;
+		std::vector<std::vector<t_real>> allEs, allWsUnpol, allWsSF1, allWsSF2, allWsNSF;
+		auto thisdyn = dyn->copyCastDyn();
+
+		for(t_real _q=qstart; _q<qend; _q+=qdelta)
+		{
+			t_real qpara = _q;
+			t_vec Q = G + qpara*qparadir + qperp*qperpdir;
+			if(bSwapQParaQPerp)
+				Q = G + qpara*qperpdir + qperp*qparadir;	// swap qpara and qperp
+
+			std::cout << "thread " << thid << " (" << Q[0] << " " << Q[1] << " " << Q[2] << ") ... ";
+			std::cout.flush();
+
+			auto [Es, wsUnpol, wsSF1, wsSF2, wsNSF] = thisdyn->GetDisp(Q[0], Q[1], Q[2]);
+			allEs.emplace_back(Es);
+			allWsUnpol.emplace_back(wsUnpol);
+			allWsSF1.emplace_back(wsSF1);
+			allWsSF2.emplace_back(wsSF2);
+			allWsNSF.emplace_back(wsNSF);
+
+			allh.push_back(Q[0]);
+			allk.push_back(Q[1]);
+			alll.push_back(Q[2]);
+
+			if(dyntype == 's')
+			{
+				allqpara_kh.push_back(qpara / g_kh_rlu_29K<t_real>);
+				allqperp_kh.push_back(qperp / g_kh_rlu_29K<t_real>);
+			}
+			else
+			{
+				allqpara_kh.push_back(qpara / g_kh_rlu<t_real>(T));
+				allqperp_kh.push_back(qperp / g_kh_rlu<t_real>(T));
+			}
+
+			allqpara_rlu.push_back(qpara);
+			allqperp_rlu.push_back(qperp);
+
+			std::cout << "done." << std::endl;
+		}
+
+		return std::make_tuple(allh, allk, alll, allEs, 
+			allWsUnpol, allWsSF1, allWsSF2, allWsNSF, 
+			allqpara_kh, allqperp_kh, allqpara_rlu, allqperp_rlu);
+	};
+
+
+	t_real qstep = qrange / 2.;
+
+	auto fut0 = std::async(std::launch::async, calc_spectrum, 0, -qrange, -qrange+1.*qstep, delta);
+	auto fut1 = std::async(std::launch::async, calc_spectrum, 1, -qrange+1.*qstep, -qrange+2.*qstep, delta);
+	auto fut2 = std::async(std::launch::async, calc_spectrum, 2, -qrange+2.*qstep, -qrange+3.*qstep, delta);
+	auto fut3 = std::async(std::launch::async, calc_spectrum, 3, -qrange+3.*qstep, -qrange+4.*qstep, delta);
+	auto val0 = fut0.get();
+	auto val1 = fut1.get();
+	auto val2 = fut2.get();
+	auto val3 = fut3.get();
+
+	insert_vals(val0, val1, std::make_index_sequence<std::tuple_size<decltype(val1)>::value>());
+	insert_vals(val0, val2, std::make_index_sequence<std::tuple_size<decltype(val2)>::value>());
+	insert_vals(val0, val3, std::make_index_sequence<std::tuple_size<decltype(val3)>::value>());
+
+
+	timer.stop();
+	std::ofstream ofstr(pcFile);
+	ofstr.precision(8);
+
+	ofstr << "#\n";
+	ofstr << "# Date: " << tl2::epoch_to_str<t_real>(tl2::epoch<t_real>()) << "\n";
+	ofstr << "# User: " << getpwuid(geteuid())->pw_name << "\n";
+	ofstr << "# Calculation time: " << timer.GetDur() << " s.\n";
+	ofstr << "# Skx order: " << DEF_SKX_ORDER << "\n";
+	if(dyntype == 'h')
+	{
+		ofstr << "# Heli order: " << DEF_HELI_ORDER << "\n";
+		ofstr << "# kh_A = " << g_kh_A<t_real>(T) << "\n";
+		ofstr << "# kh_rlu = " << g_kh_rlu<t_real>(T) << "\n";
+	}
+	ofstr << "# qparadir = " << qparadir << "\n";
+	ofstr << "# qperpdir = " << qperpdir << "\n";
+	ofstr << "# qperp = " << qperp << "\n";
+	ofstr << "# G = " << G << "\n";
+	ofstr << "# Bdir = " << Bdir << "\n";
+	ofstr << "# Pdir = " << Pdir << "\n";
+	ofstr << "# Bc2 = " << bc2 << "\n";
+	if(bSwapQParaQPerp)
+		ofstr << "# WARNING: In the following, q_para_* and q_perp_* are swapped!\n";
+
+	// save commutator of projectors to determine channel mixing
+	/*ofstr << "# [Nrpoj, Polproj_sf1] = " << tl2::commutator<t_mat_cplx>(fp.GetNeutronProjOp(), get_chiralpol<t_mat_cplx>(1)) << "\n";
+	ofstr << "# [Nrpoj, Polproj_sf2] = " << tl2::commutator<t_mat_cplx>(fp.GetNeutronProjOp(), get_chiralpol<t_mat_cplx>(2)) << "\n";
+	ofstr << "# [Nrpoj, Polproj_nsf] = " << tl2::commutator<t_mat_cplx>(fp.GetNeutronProjOp(), get_chiralpol<t_mat_cplx>(3)) << "\n";*/
+
+	ofstr << "#\n";
+
+	ofstr 
+		<< "#" << std::setw(15) << "h" << " "
+		<< std::setw(16) << "k" << " "
+		<< std::setw(16) << "l" << " "
+		<< std::setw(16) << "E" << " "
+		<< std::setw(16) << "w_unpol" << " "
+		<< std::setw(16) << "w_sf1" << " "
+		<< std::setw(16) << "w_sf2" << " "
+		<< std::setw(16) << "w_nsf" << " "
+		<< std::setw(16) << "q_para_kh" << " "
+		<< std::setw(16) << "q_perp_kh" << " "
+		<< std::setw(16) << "q_para_rlu" << " "
+		<< std::setw(16) << "q_perp_rlu\n";
+
+	for(std::size_t i=0; i<std::get<0>(val0).size(); ++i)
+	{
+		for(std::size_t j=0; j<std::get<3>(val0)[i].size(); ++j)
+		{
+			ofstr << std::setw(16) << std::get<0>(val0)[i] << " "	// h
+				<< std::setw(16) << std::get<1>(val0)[i] << " "		// k
+				<< std::setw(16) << std::get<2>(val0)[i] << " "		// l
+				<< std::setw(16) << std::get<3>(val0)[i][j] << " "	// E
+				<< std::setw(16) << std::get<4>(val0)[i][j] << " "	// w_unpol
+				<< std::setw(16) << std::get<5>(val0)[i][j] << " "	// w_sf1
+				<< std::setw(16) << std::get<6>(val0)[i][j] << " "	// w_sf2
+				<< std::setw(16) << std::get<7>(val0)[i][j] << " "	// w_nsf
+				<< std::setw(16) << std::get<8>(val0)[i] << " "	// q_para_kh
+				<< std::setw(16) << std::get<9>(val0)[i] << " "	// q_perp_kh
+				<< std::setw(16) << std::get<10>(val0)[i] << " "	// q_para_rlu
+				<< std::setw(16) << std::get<11>(val0)[i] << "\n";	// q_perp_rlu
+		}
+	}
+
+
+	timer.stop();
+	std::cout << "Calculation took " << timer.GetDur() << " s." << std::endl;
+	std::cout << "Wrote \"" << pcFile << "\"" << std::endl;
+}
+
+
+int main()
+{
+	std::cout
+		<< "--------------------------------------------------------------------------------\n"
+		<< "\tDispersion calculation tool,\n\t\tT. Weber <tweber@ill.fr>, August 2018.\n"
+		<< "--------------------------------------------------------------------------------\n\n";
+
+	char dyntype = 's';
+	t_real Gx = 1., Gy = 1., Gz = 0.;
+	t_real Bx = 1., By = 1., Bz = 0.;
+	t_real Px = -1., Py = 1., Pz = 0.;
+	t_real qperpx = -1., qperpy = 1., qperpz = 0.;
+	t_real qperp = 0.;
+	t_real B = 0.17, T = 28.5;
+	t_real qrange = 0.125;
+	t_real qdelta = 0.001;
+	int alongqpara = 0;
+
+	std::cout << "Helimagnon [h], skyrmion [s] or field-polarised [f] dynamics: ";
+	std::cin >> dyntype; dyntype = std::tolower(dyntype);
+	std::cout << "G = ";
+	std::cin >> Gx >> Gy >> Gz;
+	std::cout << "q_range = ";
+	std::cin >> qrange;
+	std::cout << "q_delta = ";
+	std::cin >> qdelta;
+	std::cout << "B = ";
+	std::cin >> Bx >> By >> Bz;
+	if(dyntype == 'h' || dyntype == 'f')
+	{
+		std::cout << "|B| = ";
+		std::cin >> B;
+		std::cout << "T = ";
+		std::cin >> T;
+	}
+	else if(dyntype == 's')
+	{
+		std::cout << "pinning = ";
+		std::cin >> Px >> Py >> Pz;
+	}
+	std::cout << "Query dispersion along q_para || B? [1/0]: ";
+	std::cin >> alongqpara;
+	std::cout << "q_perp = ";
+	std::cin >> qperpx >> qperpy >> qperpz;
+	std::cout << "|q_perp| = ";
+	std::cin >> qperp;
+
+	calc_disp(dyntype, Gx,Gy,Gz, Bx,By,Bz, Px,Py,Pz,
+		qperpx,qperpy,qperpz, qperp,
+		"dyn.dat", alongqpara==0,
+		T, B,
+		qrange, qdelta);
+
+	return 0;
+}

src/calc/heliphase.cpp

+/**
+ * Calculates the helimagnetic phase diagram
+ * @author tweber@ill.fr