nucleardatapy 0.2.0__py3-none-any.whl

nucleardatapy/matter/setup_micro_band.py

@@ -0,0 +1,233 @@
+import os
+import sys
+import numpy as np  # 1.15.0
+from scipy.interpolate import CubicSpline
+
+#nucleardatapy_tk = os.getenv('NUCLEARDATAPY_TK')
+#sys.path.insert(0, nucleardatapy_tk)
+
+import nucleardatapy as nuda
+
+def gauss( e, e_cent, e_err ):
+    fac = np.sqrt( nuda.cst.two * nuda.cst.pi ) * e_err
+    return np.exp( -nuda.cst.half * ( ( e - e_cent ) / e_err )**2 ) / fac
+
+class setupMicroBand():
+    """
+    Instantiate the object with statistical distributions averaging over
+    the models given as inputs and in NM.
+
+    :param models: The models given as inputs. 
+    :type models: list. 
+    :param nden: number of density points. 
+    :type nden: int, optional. 
+    :param ne: number of points along the energy axis. 
+    :type ne: int, optional. 
+    :param den: if not None (default), impose the densities. 
+    :type den: None or numpy array, optional. 
+    :param matter: can be 'NM' (default), 'SM' or 'ESYM'. 
+    :type matter: str, optional. 
+
+    **Attributes:**
+    """
+    #
+    def __init__( self, models = [ '2016-MBPT-AM' ], nden = 10, ne = 200, den=None, matter='NM', e2a_min = -20.0, e2a_max = 50.0 ):
+        """
+        Parameters
+        ----------
+        model : str, optional.
+        The model to consider. Choose between: 1998-VAR-AM-APR (default), 2008-AFDMC-NM, ...
+        nden: int, optional.
+        The density points to consider.
+        ne: int, optional.
+        The number of intervalle in the energy direction.
+        den: None or numpy array.
+        If None, then the density range is calculated automaticaly. If den = list of densities, the code will prefer using them.
+        matter: str, optional.
+        Set if we consider 'NM' neutron matter, 'SM' symmetric matter, or 'Esym' the symmetry energy.
+        e2a_min: float, optional.
+        e2a_min is set to be -20 MeV by default, or any number passed by the practitionner.
+        e2a_max: float, optional.
+        e2a_max is set to be 50 MeV by default, or any number passed by the practitionner.
+        """
+        #
+        if nuda.env.verb: print("Enter setupMicroBand()")
+        #
+        if matter.lower() == 'nm':
+            print('\nBand in NM')
+        elif matter.lower() == 'sm':
+            print('\nBand in SM')
+        elif matter.lower() == 'esym':
+            print('\nBand for Esym')
+        #
+        self = setupMicroBand.init_self( self )
+        #
+        #: Attribute model.
+        self.models = models
+        if nuda.env.verb: print("models:",models)
+        #: Attribute number of points in density.
+        self.nden = nden
+        if nuda.env.verb: print("nden:",nden)
+        #: Attribute a set of density points.
+        self.den = den
+        if nuda.env.verb: print("den:",den)
+        #: Attribute matter str.
+        self.matter = matter
+        if nuda.env.verb: print("matter:",matter)
+        #
+        # check that the models are available in the toolkit
+        #
+        modelsref, modelsref_lower = nuda.matter.micro_models()
+        for model in models:
+            if model.lower() not in modelsref_lower:
+                print('model:',model,' is not available in the toolkit')
+                print('exit')
+                exit()
+            mic = nuda.matter.setupMicro( model = model )
+            if matter.lower() == 'nm':
+                if mic.nm_e2a is None:
+                    print('There are no calculation in NM for model ',model)
+                    print('exit')
+                    exit()
+            elif matter.lower() == 'sm':
+                if mic.sm_e2a is None:
+                    print('There are no calculation in SM for model ',model)
+                    print('exit')
+                    exit()
+            elif matter.lower() == 'esym':
+                esym = nuda.matter.setupMicroEsym( model = model )
+                if esym.esym is None:
+                    print('There are no calculation for Esym for model ',model)
+                    print('exit')
+                    exit()
+        #
+        # Fix the density array
+        #
+        if den is not None:
+            self.den = den
+            self.den_min = min( den )
+            self.den_max = max( den )
+        else:
+            # compute n_min and n_max in NM for the models in order to avoid extrapolation
+            den_min_tmp = []; den_max_tmp = [];
+            for model in models:
+                mic = nuda.matter.setupMicro( model = model )
+                if matter.lower() == 'nm':
+                    nm_den_min = min( mic.nm_den )
+                    nm_den_max = max( mic.nm_den )
+                    den_min_tmp.append( nm_den_min ); den_max_tmp.append( nm_den_max )
+                elif matter.lower() == 'sm':
+                    sm_den_min = min( mic.sm_den )
+                    sm_den_max = max( mic.sm_den )
+                    den_min_tmp.append( sm_den_min ); den_max_tmp.append( sm_den_max )
+                elif matter.lower() == 'esym':
+                    esym = nuda.eos.setupMicroEsym( model = model )
+                    den_min = min( esym.den )
+                    den_max = max( esym.den )
+                    den_min_tmp.append( den_min ); den_max_tmp.append( den_max )
+            self.den_min = max( den_min_tmp ); self.den_max = min( den_max_tmp );
+            if nuda.env.verb: print('den_max:',self.den_max)
+            if nuda.env.verb: print('den_min:',self.den_min)
+            # Set the a density array between den_min and den_max
+            den_step = ( self.den_max - self.den_min ) / float( nden )
+            self.den = self.den_min + np.arange(nden+1) * den_step
+        if nuda.env.verb: print('den:',self.den)
+        if matter.lower() == 'nm':
+            self.kfn = nuda.kf_n( self.den )
+            self.kf = self.kfn * nuda.cst.two**nuda.cst.third
+        elif matter.lower() == 'sm':
+            self.kfn = nuda.kf_n( nuda.cst.half * self.den )
+            self.kf = self.kfn
+        elif matter.lower() == 'esym':
+            self.kfn = nuda.kf_n( nuda.cst.half * self.den )
+            self.kf = self.kfn
+        #
+        # Contruct a matrix with Gaussian distributions
+        # associated to the models
+        #
+        #e2effg = -1.0 + 2.0 * np.arange( ne + 1 ) / float( ne )
+        #if matter.lower() == 'nm':
+        #    e2a = e2effg * nuda.effg( self.kfn )
+        #elif matter.lower() == 'sm':
+        #    e2a = e2effg * nuda.effg( self.kf )
+        #elif matter.lower() == 'esym':
+        #    e2a = e2effg * nuda.esymffg( self.kf )
+        if e2a_max < e2a_min:
+            print('e2a_max:',e2a_max,' is smaller than e2a_min: ',e2a_min)
+            print('Please define these variables properly,')
+            print('or leave default values without touching them.')
+            print('Exit()')
+            exit()
+        step = ( e2a_max - e2a_min ) / float( ne )
+        e2a = e2a_min + step * np.arange( ne + 1 )
+        mat = np.zeros( (nden+1,ne+1), dtype = float )
+        #
+        for model in models:
+            if nuda.env.verb: print('model:',model)
+            # Load the results from model
+            mic = nuda.matter.setupMicro( model = model )
+            # Prepare spline for E/A and E/A_err
+            if matter.lower() == 'nm':
+                cs_e2a = CubicSpline( mic.nm_den, mic.nm_e2a )
+                cs_e2a_err = CubicSpline( mic.nm_den, mic.nm_e2a_err )
+            elif matter.lower() == 'sm':
+                cs_e2a = CubicSpline( mic.sm_den, mic.sm_e2a )
+                cs_e2a_err = CubicSpline( mic.sm_den, mic.sm_e2a_err )
+            elif matter.lower() == 'esym':
+                esym = nuda.matter.setupMicroEsym( model = model )
+                cs_e2a = CubicSpline( esym.den, esym.esym )
+                cs_e2a_err = CubicSpline( esym.den, esym.esym_err )
+            # Use the spline to get E/A and error for the density array
+            e2a_cent = cs_e2a( self.den )
+            e2a_err = cs_e2a_err( self.den )
+            # build mat[]
+            for k,den in enumerate(self.den):
+                if nuda.env.verb: print('For k,den',k,den)
+                #if nuda.env.verb: print('e2a:',e2a_cent[k],' effg:',nuda.effg(kfn),' err:',e2a_err[k])
+                mat[k,:] += e2a_cent[k] * gauss( e2a[:], e2a_cent[k], e2a_err[k] )
+        #
+        #    compute centroid and standard deviation as function of the density
+        #
+        self.e2a = []; self.e2a_std = [];
+        for k,kfn in enumerate(self.kfn):
+            self.e2a.append( np.mean(mat[k,:]*e2a)/np.mean(mat[k,:]) )
+            self.e2a_std.append(  np.mean(mat[k,:]*e2a**2)/np.mean(mat[k,:]) )
+        self.e2a = np.array(self.e2a, dtype=float )
+        self.e2a_std = np.sqrt( np.array(self.e2a_std, dtype=float ) - self.e2a**2 )
+        #
+        if nuda.env.verb: print("Exit setupMicroBand()")
+        #
+    def print_outputs( self ):
+        """
+        Method which print outputs on terminal's screen.
+        """
+        #
+        if nuda.env.verb: print("Enter print_outputs()")
+        #
+        print("- Print output:")
+        print("   models :",self.models)
+        print("   den_min:",self.den_min)
+        print("   den_max:",self.den_max)
+        print("   den :",np.round(self.den,3))
+        print("   kfn :",np.round(self.kfn,2))
+        print("   e2a :",np.round(self.e2a,2))
+        print("   std :",np.round(self.e2a_std,3))
+        #if self.sm_den is not None: print(f"   sm_den: {np.round(self.sm_den,3)} in {self.den_unit}")
+        #
+        if nuda.env.verb: print("Exit print_outputs()")
+        #
+    def init_self( self ):
+        """
+        Initialize variables in self.
+        """
+        #
+        if nuda.env.verb: print("Enter init_self()")
+        #
+        #: Attribute color.
+        self.color = 'pink'
+        #: Attribute alpha.
+        self.alpha = 0.5
+        #
+        if nuda.env.verb: print("Exit init_self()")
+        #
+        return self        

nucleardatapy/matter/setup_micro_effmass.py

@@ -0,0 +1,215 @@
+import os
+import sys
+import math
+import numpy as np  # 1.15.0
+from scipy.interpolate import CubicSpline
+from scipy.optimize import curve_fit
+import random
+
+import nucleardatapy as nuda
+
+def micro_effmass_models( matter = 'NM' ):
+    """
+    Return a list with the name of the models available in this toolkit and \
+    print them all on the prompt. These models are the following ones: \
+    '2008-BCS-NM', '2017-MBPT-NM-GAP-EMG-450-500-N2LO', \
+    '2017-MBPT-NM-GAP-EMG-450-500-N3LO', '2017-MBPT-NM-GAP-EMG-450-700-N2LO', \
+    '2017-MBPT-NM-GAP-EMG-450-700-N3LO', '2017-MBPT-NM-GAP-EM-500-N2LO', '2017-MBPT-NM-GAP-EM-500-N3LO'
+
+    :param matter: matter can be 'NM' (by default) or 'SM'.
+    :type matter: str.
+    :return: The list of models.
+    :rtype: list[str].
+    """
+    #
+    if nuda.env.verb: print("\nEnter micro_effmass_models()")
+    # '2008-AFDMC-NM', 
+    models_all = [ '2008-BCS-NM', \
+            '2017-MBPT-NM-GAP-EMG-450-500-N2LO', '2017-MBPT-NM-GAP-EMG-450-500-N3LO', '2017-MBPT-NM-GAP-EMG-450-700-N2LO', \
+            '2017-MBPT-NM-GAP-EMG-450-700-N3LO', '2017-MBPT-NM-GAP-EM-500-N2LO', '2017-MBPT-NM-GAP-EM-500-N3LO', \
+            '2022-AFDMC-NM' ]
+    models_all_lower = [ item.lower() for item in models_all ]
+    if nuda.env.verb: print('All models available in the toolkit:',models_all)
+    #
+    models = []
+    models_lower = []
+    for model in models_all:
+        #print('split:',model.split('-'))
+        if matter in model.split('-')[2]:
+            models.append( model )
+            models_lower.append( model.lower() )
+    #
+    if nuda.env.verb: print("Exit micro_effmass_models()")
+    #
+    return models, models_lower, models_all, models_all_lower
+
+class setupMicroEffmass():
+    """
+    Instantiate the object with microscopic results choosen \
+    by the toolkit practitioner.
+
+    This choice is defined in `model`, which can chosen among \
+    the following choices: \
+    '2008-BCS-NM', '2017-MBPT-NM-GAP-EMG-450-500-N2LO', \
+    '2017-MBPT-NM-GAP-EMG-450-500-N3LO', '2017-MBPT-NM-GAP-EMG-450-700-N2LO', \
+    '2017-MBPT-NM-GAP-EMG-450-700-N3LO', '2017-MBPT-NM-GAP-EM-500-N2LO', '2017-MBPT-NM-GAP-EM-500-N3LO'
+
+    :param model: Fix the name of model. Default value: '2008-BCS-NM'.
+    :type model: str, optional. 
+
+    **Attributes:**
+    """
+    #
+    def __init__( self, model = '2008-BCS-NM', matter = 'NM' ):
+        """
+        Parameters
+        ----------
+        model : str, optional
+        The model to consider. Choose between: 2008-BCS-NM (default), 2008-AFDMC-NM, ...
+        """
+        #
+        if nuda.env.verb: print("Enter setupMicroEffmass()")
+        #
+        #: Attribute model.
+        self.model = model
+        if nuda.env.verb: print("model:",model)
+        print("-> model:",model)
+        #
+        self = setupMicroEffmass.init_self( self )
+        #
+        models, models_lower, models_all, models_all_lower = micro_effmass_models( matter = matter )
+        #
+        if model.lower() not in models_all_lower:
+            print('setup_micro_effmass: The model name ',model,' is not in the list of models.')
+            print('setup_micro_effmass: list of models:',models)
+            print('setup_micro_effmass: -- Exit the code --')
+            exit()
+        #
+        if model.lower() == '2008-bcs-nm':
+            #
+            file_in = os.path.join(nuda.param.path_data,'matter/micro/2008-BCS-NM.dat')
+            if nuda.env.verb: print('Reads file:',file_in)
+            self.ref = 'A. Fabrocini, S. Fantoni, A.Y. Illarionov, and K.E. Schmidt, Nuc. Phys. A 803, 137 (2008)'
+            self.note = ""
+            self.label = 'BCS-2008'
+            self.marker = 'o'
+            self.every = 1
+            #self.linestyle = 'dotted'
+            self.err = False
+            self.nm_effmass_err = None
+            self.nm_kfn, nm_gap, nm_chempot, self.nm_effmass \
+                = np.loadtxt( file_in, usecols=(0,1,2,3), unpack = True )
+            self.nm_den     = nuda.den_n( self.nm_kfn )
+            #
+        elif model.lower() == '2008-afdmc-nm':
+            #
+            file_in = os.path.join(nuda.param.path_data,'matter/micro/2008-AFDMC-NM.dat')
+            if nuda.env.verb: print('Reads file:',file_in)
+            self.ref = 'A. Fabrocini, S. Fantoni, A.Y. Illarionov, and K.E. Schmidt, Phys. Rev. Lett. 95, 192501 (2005); A. Fabrocini, S. Fantoni, A.Y. Illarionov, and K.E. Schmidt, Nuc. Phys. A 803, 137 (2008)'
+            self.note = ""
+            self.label = 'AFDMC-2008'
+            self.marker = 'D'
+            self.every = 1
+            #self.linestyle = 'solid'
+            self.err = False
+            self.nm_effmass_err = None
+            self.nm_kfn, nm_gap, nm_chempot, self.nm_effmass \
+                = np.loadtxt( file_in, usecols=(0,1,2,3), unpack = True )
+            self.nm_den  = nuda.den_n( self.nm_kfn )
+            print('kfn:',self.nm_kfn)
+            print('ms:',self.nm_effmass)
+            #
+        elif '2017-mbpt-nm-gap-em' in model.lower() :
+            #
+            self.ref = 'C. Drischler, T. Kr\"uger, K. Hebeler, and A. Schwenk, Phys. Rev. C 95, 024302 (2017).'
+            self.note = ""
+            self.marker = 's'
+            #self.linestyle = 'solid'
+            self.every = 2
+            self.err = True
+            if model.lower() == '2017-mbpt-nm-gap-emg-450-500-n2lo':
+                self.label = 'BCS-EMG450-500-N2LO-2017'
+                file_effmass = os.path.join(nuda.param.path_data,'matter/micro/2017-Drischler/N3LO_EGM450_500_effmass_1S0_HF_spectrum_N2LO_3N_forces.csv')
+            elif model.lower() == '2017-mbpt-nm-gap-emg-450-500-n3lo':
+                self.label = 'BCS-EMG450-500-N3LO-2017'
+                file_effmass = os.path.join(nuda.param.path_data,'matter/micro/2017-Drischler/N3LO_EGM450_500_effmass_1S0_HF_spectrum_N3LO_3N_forces.csv')
+            elif model.lower() == '2017-mbpt-nm-gap-emg-450-700-n2lo':
+                self.label = 'BCS-EMG450-700-N2LO-2017'
+                file_effmass = os.path.join(nuda.param.path_data,'matter/micro/2017-Drischler/N3LO_EGM450_700_effmass_1S0_HF_spectrum_N2LO_3N_forces.csv')
+            elif model.lower() == '2017-mbpt-nm-gap-emg-450-700-n3lo':
+                self.label = 'BCS-EMG450-700-N3LO-2017'
+                file_effmass = os.path.join(nuda.param.path_data,'matter/micro/2017-Drischler/N3LO_EGM450_700_effmass_1S0_HF_spectrum_N3LO_3N_forces.csv')
+            elif model.lower() == '2017-mbpt-nm-gap-em-500-n2lo':
+                self.label = 'BCS-EM500-N2LO-2017'
+                file_effmass = os.path.join(nuda.param.path_data,'matter/micro/2017-Drischler/N3LO_EM500_effmass_1S0_HF_spectrum_N2LO_3N_forces.csv')
+            elif model.lower() == '2017-mbpt-nm-gap-em-500-n3lo':
+                self.label = 'BCS-EM500-N3LO-2017'
+                file_effmass = os.path.join(nuda.param.path_data,'matter/micro/2017-Drischler/N3LO_EM500_effmass_1S0_HF_spectrum_N3LO_3N_forces.csv')
+            if nuda.env.verb: 
+                print('Reads file_effmass:',file_in_effmass)
+            self.nm_kfn, effmass_lo, effmass_up \
+                = np.loadtxt( file_effmass, usecols = (0, 1, 2), delimiter=',', comments='#', unpack = True)
+            self.nm_den = nuda.den_n( self.nm_kfn )
+            self.nm_effmass = 0.5 * ( effmass_up + effmass_lo )
+            self.nm_effmass_err = 0.5 * ( effmass_up - effmass_up )
+            #
+        self.den_unit = 'fm$^{-3}$'
+        self.kf_unit = 'fm$^{-1}$'
+        self.gap_unit = 'MeV'
+        #
+        if nuda.env.verb: print("Exit setupMicroEffmass()")
+        #
+    def print_outputs( self ):
+        """
+        Method which print outputs on terminal's screen.
+        """
+        #
+        if nuda.env.verb: print("Enter print_outputs()")
+        #
+        print("- Print output:")
+        print("   model: ",self.model)
+        print("   ref:   ",self.ref)
+        print("   note:  ",self.note)
+        print("   label: ",self.label)
+        print("   marker:",self.marker)
+        print("   every: ",self.every)
+        if self.nm_den is not None: print(f"   nm_den: {np.round(self.nm_den,3)} in {self.den_unit}")
+        if self.nm_kfn is not None: print(f"   nm_kfn: {np.round(self.nm_kfn,3)} in {self.kf_unit}")
+        if self.nm_effmass is not None: print(f"   nm_effmass: {np.round(self.nm_effmass,3)}")
+        #
+        if nuda.env.verb: print("Exit print_outputs()")
+        #
+    def init_self( self ):
+        """
+        Initialize variables in self.
+        """
+        #
+        if nuda.env.verb: print("Enter init_self()")
+        #
+        #: Attribute providing the full reference to the paper to be citted.
+        self.ref = ''
+        #: Attribute providing additional notes about the data.
+        self.note = ''
+        #: Attribute the neutron matter Fermi momentum for which the effective mass is provided.
+        self.nm_kfn = None
+        self.sm_kfn = None
+        #: Attribute the neutron matter densities for which the effective mass is provided.
+        self.nm_den = None
+        self.sm_den = None
+        #: Attribute the neutron matter effective mass.
+        self.nm_effmass = None
+        self.sm_effmass = None
+        self.nm_effmass_err = None
+        self.sm_effmass_err = None
+        #: Attribute the plot label data.
+        self.label = ''
+        #: Attribute the plot marker.
+        self.marker = None
+        self.err = False
+        #: Attribute the plot every data.
+        self.every = 1
+        #
+        if nuda.env.verb: print("Exit init_self()")
+        #
+        return self        
+