integrated-nusol/testrun.py at master · maximumsomething/integrated-nusol · GitHub

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#!/usr/bin/env python3

from Integrate_Nu_Sol_Prime import *
from Integrated_Nu_Sol_Graphics import *
from generate_potential import *

#-------6-------#
# For reference:
# def numerov(ProjectName, NDIM, XMIN=0.0, XMAX=0.0, XDIV=0, XLEVEL=0.0, YMIN=0.0, YMAX=0.0, YDIV=0, YLEVEL = 0.0, ZMIN=0.0, ZMAX=0.0, ZDIV=0, ZLEVEL=0.0, Analytic=False, UserFunction="", Overwrite=False, N_EVAL = 1, MASS=3678.21, HBAR = 315775.326864, Generate = True):

# def generate(ProjectName, NDIM, XMIN=0.0, XMAX=0.0, XDIV=0, XLEVEL = 0.0, YMIN=0.0, YMAX=0.0, YDIV=0, YLEVEL = 0.0, ZMIN=0.0, ZMAX=0.0, ZDIV=0, ZLEVEL = 0.0, Analytic = False, UserFunction = "", Overwrite = False):

#generate("matrixtesting3D", GridInfo(3, -1.0, 1.0, 10, 0.0, -1.0, 1.0, 10, 0.0, 3.32, 5.32, 10, 0.0), Overwrite=True)
#generate("matrixtesting3D", GridInfo.load("generateinfomatrixtesting3D3D.dat"), Overwrite=True)


#numerov("matrixtesting3D", GridInfo(3, -1.0, 1.0, 10, 0.0, -1.0, 1.0, 10, 0.0, 3.32, 5.32, 10, 0.0), N_EVAL = 3, Overwrite=True)
#numerov("matrixtesting2D", 2, GridInfo(XMIN=-1.0, XMAX=1.0, XDIV=20, YMIN=-1.0, YMAX=1.0, YDIV=20, ZLEVEL=4.32), N_EVAL = 3, Overwrite=True)
#numerov("matrixtesting1D", 1, GridInfo(XLEVEL=0.0, YLEVEL=0.0, ZMIN=3.32, ZMAX=5.32, ZDIV=30), N_EVAL = 3, Overwrite=True)

#generate("2GraphicsTesting", GridInfo(3, -1.0, 1.0, 20, 0.0, -1.0, 1.0, 20, 0.0, 3.32, 5.32, 20, 0.0, False, False), Overwrite = True)


#generate("MOFretry", GridInfo(3, -.5, .5, 30, 0.0, -.5, .5, 30, 0.0, 2.82, 3.82, 30, 0.0, False), Overwrite=True)


#generate("FitzGeraldgraphSHO", GridInfo(3, -.5, .5, 30, 0.0, -.5, .5, 30, 0.0, 2.82, 3.82, 30, 0.0, True, "437*((x**2+y**2+(z-3.32)**2))"), Overwrite=True)
#generate("FitzGeraldgraphMOF", GridInfo(3, -.5, .5, 30, 0.0, -.5, .5, 30, 0.0, 2.82, 3.82, 30, 0.0, False), Overwrite=True)

#ZGraphicalGenerate("FitzGeraldgraphSHO", 0.0, 0.0)

#PotentialZGraphics("FitzGeraldgraphMOF", 0.0, 0.0)

#PotentialGraphics1D("FitzGeraldgraphMOF", 0.0, 0.0, 3.32, 'x')
numerov("LJBignew", GridInfo(3, -.5, .5, 15, 0.0, -.5, .5, 15, 0.0, 2.82, 3.82, 15, 0.0), N_EVAL = 101, IgnoreM = True, Overwrite=True)

#GridInfo(3, -8.0, 8.0, 30, 0.0, -8.0, 8.0, 30, 0.0, -8.0, 8.0, 30, 0.0).save("mof5biggg")
#Graph2D("surface", "mof5biggg", 3.32)

#numerov("LJZero", GridInfo(3, -2.0, 2.0, 25, 0.0, -2.0, 2.0, 25, 0.0, 1.0, 5.0, 25, 0.0), N_EVAL = 7, IgnoreM = True, Overwrite=True)

#PotentialGraph2D("heat", "LJZero", 3.32)

# numerov("windowTest", GridInfo(3, -1.0, 1.0, 25, 0.0, -1.0, 1.0, 25, 0.0, 2.5, 4.5, 25, 0.0), MASS=2.0, N_EVAL = 7, IgnoreM = True, Overwrite=True)

# numerov("windowTestD2", GridInfo(3, -1.0, 1.0, 25, 0.0, -1.0, 1.0, 25, 0.0, 2.5, 4.5, 25, 0.0), MASS=4.0, N_EVAL = 7, IgnoreM = True, Overwrite=True)

# numerov("windowTestHalf", GridInfo(3, -0.5, 0.5, 25, 0.0, -0.5, 0.5, 25, 0.0, 3.0, 4.0, 25, 0.0), MASS=4.0, N_EVAL = 7, IgnoreM = True, Overwrite=True)

#PsiGraph2D("surface", "windowTest", 3.32, 0)
#PsiGraph2D("surface", "windowTest", 3.32, 1)
#PsiGraph2D("surface", "windowTestD2", 3.32, 0)
#PsiGraph2D("surface", "windowTestD2", 3.32, 1)

#plt.show()

#Accuracy testing
def accuracyTesting():
	grid = GridInfo(3, -1.0, 1.0, 20, 0.0, -1.0, 1.0, 20, 0.0, 3.32, 5.32, 20, 0.0)

	allEvals = np.ndarray([])

	allEvals = numerov("LJnew", grid, N_EVAL = 7, IgnoreM = True)
	# allEvals = np.append(allEvals, numerov("LJold", grid, N_EVAL = 7, IgnoreM = False))

	grid.Analytic = True
	grid.ZMIN = -1.0
	grid.ZMAX = 1.0
	grid.UserFunction = "437.69 * (x**2 + y**2 + z**2)"
	allEvals = np.append(allEvals, numerov("firstOrderNew", grid, N_EVAL = 7, IgnoreM = True))
	# allEvals = np.append(allEvals, numerov("firstOrderOld", grid, N_EVAL = 7, IgnoreM = False))

	grid.UserFunction = "437.69 * (x**2 + y**2 + z**2) + 0.5 * (x**4 + y**4 + z**4)"
	allEvals = np.append(allEvals, numerov("secondOrderNew", grid, N_EVAL = 7, IgnoreM = True))
	# allEvals = np.append(allEvals, numerov("secondOrderOld", grid, N_EVAL = 7, IgnoreM = False))

	reshapedEvals = np.reshape(np.real(allEvals), (7, -1), 'F')

	np.savetxt("accuracytesting.csv", reshapedEvals, delimiter=",")
#accuracyTesting()