Added python example (!) and turned on switching function
This commit is contained in:
Aidan Thompson
104
examples/snap/grid.py
Executable file
104
examples/snap/grid.py
Executable file
@ -0,0 +1,104 @@
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#!/Users/athomps/miniconda3/bin/python3.7
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#
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# An example of SNAP grid from LAMMPS Python interface
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#
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# https://lammps.sandia.gov/doc/Python_library.html
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from lammps import lammps
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import lammps_utils
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# define command line input variables
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ngridx = 2
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ngridy = 3
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ngridz = 4
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twojmax = 2
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lmp_cmdargs = ["-echo","screen"]
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lmp_cmdargs = lammps_utils.set_cmdlinevars(lmp_cmdargs,
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{
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"ngridx":ngridx,
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"ngridy":ngridy,
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"ngridz":ngridz,
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"twojmax":twojmax
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}
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)
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# launch LAMMPS instance
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lmp = lammps(cmdargs=lmp_cmdargs)
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# run LAMMPS input script
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lmp.file("in.grid.python")
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# get quantities from LAMMPS
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num_atoms = lmp.get_natoms()
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# set things not accessible from LAMMPS
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# first 3 cols are x, y, z, coords
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ncols0 = 3
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# analytical relation
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ncoeff = (twojmax+2)*(twojmax+3)*(twojmax+4)
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ncoeff = ncoeff // 24 # integer division
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ncols = ncols0+ncoeff
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# get B_0 at position (0,0,0) in 4 different ways
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# 1. from comute sna/atom
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bptr = lmp.extract_compute("b", 1, 2) # 1 = per-atom data, 2 = array
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print("b = ",bptr[0][0])
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# 2. from compute sna/grid
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bgridptr = lmp.extract_compute("bgrid", 0, 2) # 0 = style global, 2 = type array
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print("bgrid = ",bgridptr[0][3])
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# 3. from Numpy array pointing to sna/atom array
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bptr_np = lammps_utils.extract_compute_np(lmp,"b",1,2,(num_atoms,ncoeff))
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print("b_np = ",bptr_np[0][0])
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# 4. from Numpy array pointing to sna/grid array
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bgridptr_np = lammps_utils.extract_compute_np(lmp,"bgrid",0,2,(ngridz,ngridy,ngridx,ncols))
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print("bgrid_np = ",bgridptr_np[0][0][0][ncols0+0])
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# print out the LAMMPS array to a file
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outfile = open("bgrid.dat",'w')
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igrid = 0
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for iz in range(ngridz):
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for iy in range(ngridy):
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for ix in range(ngridx):
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outfile.write("x, y, z = %g %g %g\n" %
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(bgridptr[igrid][0],
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bgridptr[igrid][1],
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bgridptr[igrid][2]))
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for icoeff in range(ncoeff):
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outfile.write("%g " % bgridptr[igrid][ncols0+icoeff])
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outfile.write("\n")
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igrid += 1
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outfile.close()
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# print out the Numpy array to a file
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outfile = open("bgrid_np.dat",'w')
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for iz in range(ngridz):
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for iy in range(ngridy):
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for ix in range(ngridx):
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outfile.write("x, y, z = %g %g %g\n" %
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(bgridptr_np[iz][iy][ix][0],
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bgridptr_np[iz][iy][ix][1],
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bgridptr_np[iz][iy][ix][2]))
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for icoeff in range(ncoeff):
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outfile.write("%g " % bgridptr_np[iz][iy][ix][ncols0+icoeff])
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outfile.write("\n")
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outfile.close()
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@ -46,7 +46,7 @@ variable wj equal 1
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variable radelem equal 0.5
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variable bzero equal 0
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variable quad equal 0
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variable switch equal 0
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variable switch equal 1
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compute b all sna/atom &
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${rcutfac} ${rfac0} ${twojmax} ${radelem} &
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@ -60,11 +60,16 @@ compute mygrid all sna/grid grid ${ngrid} ${ngrid} ${ngrid} &
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# define output
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# mygrid is ngrid by (3+nbis) = 8x8
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thermo_style custom step temp ke pe vol &
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c_mygrid[1][1] c_mygrid[2][1] c_mygrid[3][1] c_mygrid[4][1] c_mygrid[5][1] c_mygrid[6][1] c_mygrid[7][1] c_mygrid[8][1] &
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c_mygrid[1][2] c_mygrid[2][2] c_mygrid[3][2] c_mygrid[4][2] c_mygrid[5][2] c_mygrid[6][2] c_mygrid[7][2] c_mygrid[8][2] &
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c_mygrid[1][3] c_mygrid[2][3] c_mygrid[3][3] c_mygrid[4][3] c_mygrid[5][3] c_mygrid[6][3] c_mygrid[7][3] c_mygrid[8][3] &
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c_mygrid[1][4] c_mygrid[2][4] c_mygrid[3][4] c_mygrid[4][4] c_mygrid[5][4] c_mygrid[6][4] c_mygrid[7][4] c_mygrid[8][4]
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c_mygrid[1][4] c_mygrid[2][4] c_mygrid[3][4] c_mygrid[4][4] c_mygrid[5][4] c_mygrid[6][4] c_mygrid[7][4] c_mygrid[8][4] &
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c_mygrid[1][5] c_mygrid[2][5] c_mygrid[3][5] c_mygrid[4][5] c_mygrid[5][5] c_mygrid[6][5] c_mygrid[7][5] c_mygrid[8][5] &
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c_mygrid[1][6] c_mygrid[2][6] c_mygrid[3][6] c_mygrid[4][6] c_mygrid[5][6] c_mygrid[6][6] c_mygrid[7][6] c_mygrid[8][6] &
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c_mygrid[1][7] c_mygrid[2][7] c_mygrid[3][7] c_mygrid[4][7] c_mygrid[5][7] c_mygrid[6][7] c_mygrid[7][7] c_mygrid[8][7] &
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c_mygrid[1][8] c_mygrid[2][8] c_mygrid[3][8] c_mygrid[4][8] c_mygrid[5][8] c_mygrid[6][8] c_mygrid[7][8] c_mygrid[8][8]
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thermo_modify norm yes
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dump mydump_b all custom 1000 dump_b id c_b[*]
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61
examples/snap/in.grid.python
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61
examples/snap/in.grid.python
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# Demonstrate bispectrum per-atom and grid computes
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# Invoked from grid.py
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# pass in values for ngridx, ngridy, ngridz, twojmax
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# Initialize simulation
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variable nsteps equal 0
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variable nrep equal 1
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variable a equal 3.316
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units metal
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# generate the box and atom positions using a BCC lattice
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variable nx equal ${nrep}
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variable ny equal ${nrep}
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variable nz equal ${nrep}
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boundary p p p
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lattice custom ${a} a1 1 0 0 a2 0 1 0 a3 0 0 1 basis 0 0 0 basis 0.5 0.5 0.5
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region box block 0 ${nx} 0 ${ny} 0 ${nz}
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create_box 1 box
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create_atoms 1 box
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mass 1 180.88
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# define grid compute and atom compute
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group snapgroup type 1
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variable rcutfac equal 4.67637
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variable rfac0 equal 0.99363
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variable rmin0 equal 0
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variable wj equal 1
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variable radelem equal 0.5
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variable bzero equal 0
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variable quad equal 0
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variable switch equal 1
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compute b all sna/atom ${rcutfac} ${rfac0} ${twojmax} ${radelem} ${wj} rmin0 ${rmin0} bzeroflag ${bzero} quadraticflag ${quad} switchflag ${switch}
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compute bgrid all sna/grid grid ${ngridx} ${ngridy} ${ngridz} ${rcutfac} ${rfac0} ${twojmax} ${radelem} ${wj} rmin0 ${rmin0} bzeroflag ${bzero} quadraticflag ${quad} switchflag ${switch}
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# create dummy potential for neighbor list
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variable rcutneigh equal 2.0*${rcutfac}*${radelem}
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pair_style zero ${rcutneigh}
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pair_coeff * *
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# define output
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thermo_style custom step temp ke pe vol c_bgrid[1][1]
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thermo_modify norm yes
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dump mydump_b all custom 1000 dump_b id c_b[*]
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# run
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run 0
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@ -51,7 +51,7 @@ variable wj equal 1
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variable radelem equal 0.5
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variable bzero equal 0
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variable quad equal 0
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variable switch equal 0
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variable switch equal 1
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compute b all sna/atom &
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${rcutfac} ${rfac0} ${twojmax} ${radelem} &
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@ -65,46 +65,48 @@ compute mygrid all sna/grid grid ${ngridx} ${ngridy} ${ngridz} &
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# define output
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# mygrid is ngrid by (3+nbis) = 384x8
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thermo_style custom step temp ke pe vol &
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c_mygrid[1][4] c_mygrid[2][4] c_mygrid[3][4] c_mygrid[4][4] c_mygrid[5][4] c_mygrid[6][4] c_mygrid[7][4] c_mygrid[8][4] c_mygrid[9][4] &
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c_mygrid[10][4] c_mygrid[11][4] c_mygrid[12][4] c_mygrid[13][4] c_mygrid[14][4] c_mygrid[15][4] c_mygrid[16][4] c_mygrid[17][4] c_mygrid[18][4] c_mygrid[19][4] &
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c_mygrid[20][4] c_mygrid[21][4] c_mygrid[22][4] c_mygrid[23][4] c_mygrid[24][4] c_mygrid[25][4] c_mygrid[26][4] c_mygrid[27][4] c_mygrid[28][4] c_mygrid[29][4] &
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c_mygrid[30][4] c_mygrid[31][4] c_mygrid[32][4] c_mygrid[33][4] c_mygrid[34][4] c_mygrid[35][4] c_mygrid[36][4] c_mygrid[37][4] c_mygrid[38][4] c_mygrid[39][4] &
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c_mygrid[40][4] c_mygrid[41][4] c_mygrid[42][4] c_mygrid[43][4] c_mygrid[44][4] c_mygrid[45][4] c_mygrid[46][4] c_mygrid[47][4] c_mygrid[48][4] c_mygrid[49][4] &
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c_mygrid[50][4] c_mygrid[51][4] c_mygrid[52][4] c_mygrid[53][4] c_mygrid[54][4] c_mygrid[55][4] c_mygrid[56][4] c_mygrid[57][4] c_mygrid[58][4] c_mygrid[59][4] &
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c_mygrid[60][4] c_mygrid[61][4] c_mygrid[62][4] c_mygrid[63][4] c_mygrid[64][4] c_mygrid[65][4] c_mygrid[66][4] c_mygrid[67][4] c_mygrid[68][4] c_mygrid[69][4] &
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c_mygrid[70][4] c_mygrid[71][4] c_mygrid[72][4] c_mygrid[73][4] c_mygrid[74][4] c_mygrid[75][4] c_mygrid[76][4] c_mygrid[77][4] c_mygrid[78][4] c_mygrid[79][4] &
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c_mygrid[80][4] c_mygrid[81][4] c_mygrid[82][4] c_mygrid[83][4] c_mygrid[84][4] c_mygrid[85][4] c_mygrid[86][4] c_mygrid[87][4] c_mygrid[88][4] c_mygrid[89][4] &
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c_mygrid[90][4] c_mygrid[91][4] c_mygrid[92][4] c_mygrid[93][4] c_mygrid[94][4] c_mygrid[95][4] c_mygrid[96][4] c_mygrid[97][4] c_mygrid[98][4] c_mygrid[99][4] &
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c_mygrid[101][4] c_mygrid[102][4] c_mygrid[103][4] c_mygrid[104][4] c_mygrid[105][4] c_mygrid[106][4] c_mygrid[107][4] c_mygrid[108][4] c_mygrid[109][4] &
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c_mygrid[110][4] c_mygrid[111][4] c_mygrid[112][4] c_mygrid[113][4] c_mygrid[114][4] c_mygrid[115][4] c_mygrid[116][4] c_mygrid[117][4] c_mygrid[118][4] c_mygrid[119][4] &
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c_mygrid[120][4] c_mygrid[121][4] c_mygrid[122][4] c_mygrid[123][4] c_mygrid[124][4] c_mygrid[125][4] c_mygrid[126][4] c_mygrid[127][4] c_mygrid[128][4] c_mygrid[129][4] &
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c_mygrid[130][4] c_mygrid[131][4] c_mygrid[132][4] c_mygrid[133][4] c_mygrid[134][4] c_mygrid[135][4] c_mygrid[136][4] c_mygrid[137][4] c_mygrid[138][4] c_mygrid[139][4] &
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c_mygrid[140][4] c_mygrid[141][4] c_mygrid[142][4] c_mygrid[143][4] c_mygrid[144][4] c_mygrid[145][4] c_mygrid[146][4] c_mygrid[147][4] c_mygrid[148][4] c_mygrid[149][4] &
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c_mygrid[150][4] c_mygrid[151][4] c_mygrid[152][4] c_mygrid[153][4] c_mygrid[154][4] c_mygrid[155][4] c_mygrid[156][4] c_mygrid[157][4] c_mygrid[158][4] c_mygrid[159][4] &
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c_mygrid[160][4] c_mygrid[161][4] c_mygrid[162][4] c_mygrid[163][4] c_mygrid[164][4] c_mygrid[165][4] c_mygrid[166][4] c_mygrid[167][4] c_mygrid[168][4] c_mygrid[169][4] &
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c_mygrid[170][4] c_mygrid[171][4] c_mygrid[172][4] c_mygrid[173][4] c_mygrid[174][4] c_mygrid[175][4] c_mygrid[176][4] c_mygrid[177][4] c_mygrid[178][4] c_mygrid[179][4] &
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c_mygrid[180][4] c_mygrid[181][4] c_mygrid[182][4] c_mygrid[183][4] c_mygrid[184][4] c_mygrid[185][4] c_mygrid[186][4] c_mygrid[187][4] c_mygrid[188][4] c_mygrid[189][4] &
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c_mygrid[190][4] c_mygrid[191][4] c_mygrid[192][4] c_mygrid[193][4] c_mygrid[194][4] c_mygrid[195][4] c_mygrid[196][4] c_mygrid[197][4] c_mygrid[198][4] c_mygrid[199][4] &
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c_mygrid[201][4] c_mygrid[202][4] c_mygrid[203][4] c_mygrid[204][4] c_mygrid[205][4] c_mygrid[206][4] c_mygrid[207][4] c_mygrid[208][4] c_mygrid[209][4] &
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c_mygrid[210][4] c_mygrid[211][4] c_mygrid[212][4] c_mygrid[213][4] c_mygrid[214][4] c_mygrid[215][4] c_mygrid[216][4] c_mygrid[217][4] c_mygrid[218][4] c_mygrid[219][4] &
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c_mygrid[220][4] c_mygrid[221][4] c_mygrid[222][4] c_mygrid[223][4] c_mygrid[224][4] c_mygrid[225][4] c_mygrid[226][4] c_mygrid[227][4] c_mygrid[228][4] c_mygrid[229][4] &
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c_mygrid[230][4] c_mygrid[231][4] c_mygrid[232][4] c_mygrid[233][4] c_mygrid[234][4] c_mygrid[235][4] c_mygrid[236][4] c_mygrid[237][4] c_mygrid[238][4] c_mygrid[239][4] &
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c_mygrid[240][4] c_mygrid[241][4] c_mygrid[242][4] c_mygrid[243][4] c_mygrid[244][4] c_mygrid[245][4] c_mygrid[246][4] c_mygrid[247][4] c_mygrid[248][4] c_mygrid[249][4] &
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c_mygrid[250][4] c_mygrid[251][4] c_mygrid[252][4] c_mygrid[253][4] c_mygrid[254][4] c_mygrid[255][4] c_mygrid[256][4] c_mygrid[257][4] c_mygrid[258][4] c_mygrid[259][4] &
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c_mygrid[260][4] c_mygrid[261][4] c_mygrid[262][4] c_mygrid[263][4] c_mygrid[264][4] c_mygrid[265][4] c_mygrid[266][4] c_mygrid[267][4] c_mygrid[268][4] c_mygrid[269][4] &
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c_mygrid[270][4] c_mygrid[271][4] c_mygrid[272][4] c_mygrid[273][4] c_mygrid[274][4] c_mygrid[275][4] c_mygrid[276][4] c_mygrid[277][4] c_mygrid[278][4] c_mygrid[279][4] &
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c_mygrid[280][4] c_mygrid[281][4] c_mygrid[282][4] c_mygrid[283][4] c_mygrid[284][4] c_mygrid[285][4] c_mygrid[286][4] c_mygrid[287][4] c_mygrid[288][4] c_mygrid[289][4] &
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c_mygrid[290][4] c_mygrid[291][4] c_mygrid[292][4] c_mygrid[293][4] c_mygrid[294][4] c_mygrid[295][4] c_mygrid[296][4] c_mygrid[297][4] c_mygrid[298][4] c_mygrid[299][4] &
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c_mygrid[301][4] c_mygrid[302][4] c_mygrid[303][4] c_mygrid[304][4] c_mygrid[305][4] c_mygrid[306][4] c_mygrid[307][4] c_mygrid[308][4] c_mygrid[309][4] &
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c_mygrid[310][4] c_mygrid[311][4] c_mygrid[312][4] c_mygrid[313][4] c_mygrid[314][4] c_mygrid[315][4] c_mygrid[316][4] c_mygrid[317][4] c_mygrid[318][4] c_mygrid[319][4] &
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c_mygrid[320][4] c_mygrid[321][4] c_mygrid[322][4] c_mygrid[323][4] c_mygrid[324][4] c_mygrid[325][4] c_mygrid[326][4] c_mygrid[327][4] c_mygrid[328][4] c_mygrid[329][4] &
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c_mygrid[330][4] c_mygrid[331][4] c_mygrid[332][4] c_mygrid[333][4] c_mygrid[334][4] c_mygrid[335][4] c_mygrid[336][4] c_mygrid[337][4] c_mygrid[338][4] c_mygrid[339][4] &
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c_mygrid[340][4] c_mygrid[341][4] c_mygrid[342][4] c_mygrid[343][4] c_mygrid[344][4] c_mygrid[345][4] c_mygrid[346][4] c_mygrid[347][4] c_mygrid[348][4] c_mygrid[349][4] &
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c_mygrid[350][4] c_mygrid[351][4] c_mygrid[352][4] c_mygrid[353][4] c_mygrid[354][4] c_mygrid[355][4] c_mygrid[356][4] c_mygrid[357][4] c_mygrid[358][4] c_mygrid[359][4] &
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c_mygrid[360][4] c_mygrid[361][4] c_mygrid[362][4] c_mygrid[363][4] c_mygrid[364][4] c_mygrid[365][4] c_mygrid[366][4] c_mygrid[367][4] c_mygrid[368][4] c_mygrid[369][4] &
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c_mygrid[370][4] c_mygrid[371][4] c_mygrid[372][4] c_mygrid[373][4] c_mygrid[374][4] c_mygrid[375][4] c_mygrid[376][4] c_mygrid[377][4] c_mygrid[378][4] c_mygrid[379][4] &
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c_mygrid[380][4] c_mygrid[381][4] c_mygrid[382][4] c_mygrid[383][4] c_mygrid[384][4]
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c_mygrid[1][7] c_mygrid[2][7] c_mygrid[3][7] c_mygrid[4][7] c_mygrid[5][7] c_mygrid[6][7] c_mygrid[7][7] c_mygrid[8][7] c_mygrid[9][7] &
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||||
c_mygrid[10][7] c_mygrid[11][7] c_mygrid[12][7] c_mygrid[13][7] c_mygrid[14][7] c_mygrid[15][7] c_mygrid[16][7] c_mygrid[17][7] c_mygrid[18][7] c_mygrid[19][7] &
|
||||
c_mygrid[20][7] c_mygrid[21][7] c_mygrid[22][7] c_mygrid[23][7] c_mygrid[24][7] c_mygrid[25][7] c_mygrid[26][7] c_mygrid[27][7] c_mygrid[28][7] c_mygrid[29][7] &
|
||||
c_mygrid[30][7] c_mygrid[31][7] c_mygrid[32][7] c_mygrid[33][7] c_mygrid[34][7] c_mygrid[35][7] c_mygrid[36][7] c_mygrid[37][7] c_mygrid[38][7] c_mygrid[39][7] &
|
||||
c_mygrid[40][7] c_mygrid[41][7] c_mygrid[42][7] c_mygrid[43][7] c_mygrid[44][7] c_mygrid[45][7] c_mygrid[46][7] c_mygrid[47][7] c_mygrid[48][7] c_mygrid[49][7] &
|
||||
c_mygrid[50][7] c_mygrid[51][7] c_mygrid[52][7] c_mygrid[53][7] c_mygrid[54][7] c_mygrid[55][7] c_mygrid[56][7] c_mygrid[57][7] c_mygrid[58][7] c_mygrid[59][7] &
|
||||
c_mygrid[60][7] c_mygrid[61][7] c_mygrid[62][7] c_mygrid[63][7] c_mygrid[64][7] c_mygrid[65][7] c_mygrid[66][7] c_mygrid[67][7] c_mygrid[68][7] c_mygrid[69][7] &
|
||||
c_mygrid[70][7] c_mygrid[71][7] c_mygrid[72][7] c_mygrid[73][7] c_mygrid[74][7] c_mygrid[75][7] c_mygrid[76][7] c_mygrid[77][7] c_mygrid[78][7] c_mygrid[79][7] &
|
||||
c_mygrid[80][7] c_mygrid[81][7] c_mygrid[82][7] c_mygrid[83][7] c_mygrid[84][7] c_mygrid[85][7] c_mygrid[86][7] c_mygrid[87][7] c_mygrid[88][7] c_mygrid[89][7] &
|
||||
c_mygrid[90][7] c_mygrid[91][7] c_mygrid[92][7] c_mygrid[93][7] c_mygrid[94][7] c_mygrid[95][7] c_mygrid[96][7] c_mygrid[97][7] c_mygrid[98][7] c_mygrid[99][7] &
|
||||
c_mygrid[101][7] c_mygrid[102][7] c_mygrid[103][7] c_mygrid[104][7] c_mygrid[105][7] c_mygrid[106][7] c_mygrid[107][7] c_mygrid[108][7] c_mygrid[109][7] &
|
||||
c_mygrid[110][7] c_mygrid[111][7] c_mygrid[112][7] c_mygrid[113][7] c_mygrid[114][7] c_mygrid[115][7] c_mygrid[116][7] c_mygrid[117][7] c_mygrid[118][7] c_mygrid[119][7] &
|
||||
c_mygrid[120][7] c_mygrid[121][7] c_mygrid[122][7] c_mygrid[123][7] c_mygrid[124][7] c_mygrid[125][7] c_mygrid[126][7] c_mygrid[127][7] c_mygrid[128][7] c_mygrid[129][7] &
|
||||
c_mygrid[130][7] c_mygrid[131][7] c_mygrid[132][7] c_mygrid[133][7] c_mygrid[134][7] c_mygrid[135][7] c_mygrid[136][7] c_mygrid[137][7] c_mygrid[138][7] c_mygrid[139][7] &
|
||||
c_mygrid[140][7] c_mygrid[141][7] c_mygrid[142][7] c_mygrid[143][7] c_mygrid[144][7] c_mygrid[145][7] c_mygrid[146][7] c_mygrid[147][7] c_mygrid[148][7] c_mygrid[149][7] &
|
||||
c_mygrid[150][7] c_mygrid[151][7] c_mygrid[152][7] c_mygrid[153][7] c_mygrid[154][7] c_mygrid[155][7] c_mygrid[156][7] c_mygrid[157][7] c_mygrid[158][7] c_mygrid[159][7] &
|
||||
c_mygrid[160][7] c_mygrid[161][7] c_mygrid[162][7] c_mygrid[163][7] c_mygrid[164][7] c_mygrid[165][7] c_mygrid[166][7] c_mygrid[167][7] c_mygrid[168][7] c_mygrid[169][7] &
|
||||
c_mygrid[170][7] c_mygrid[171][7] c_mygrid[172][7] c_mygrid[173][7] c_mygrid[174][7] c_mygrid[175][7] c_mygrid[176][7] c_mygrid[177][7] c_mygrid[178][7] c_mygrid[179][7] &
|
||||
c_mygrid[180][7] c_mygrid[181][7] c_mygrid[182][7] c_mygrid[183][7] c_mygrid[184][7] c_mygrid[185][7] c_mygrid[186][7] c_mygrid[187][7] c_mygrid[188][7] c_mygrid[189][7] &
|
||||
c_mygrid[190][7] c_mygrid[191][7] c_mygrid[192][7] c_mygrid[193][7] c_mygrid[194][7] c_mygrid[195][7] c_mygrid[196][7] c_mygrid[197][7] c_mygrid[198][7] c_mygrid[199][7] &
|
||||
c_mygrid[201][7] c_mygrid[202][7] c_mygrid[203][7] c_mygrid[204][7] c_mygrid[205][7] c_mygrid[206][7] c_mygrid[207][7] c_mygrid[208][7] c_mygrid[209][7] &
|
||||
c_mygrid[210][7] c_mygrid[211][7] c_mygrid[212][7] c_mygrid[213][7] c_mygrid[214][7] c_mygrid[215][7] c_mygrid[216][7] c_mygrid[217][7] c_mygrid[218][7] c_mygrid[219][7] &
|
||||
c_mygrid[220][7] c_mygrid[221][7] c_mygrid[222][7] c_mygrid[223][7] c_mygrid[224][7] c_mygrid[225][7] c_mygrid[226][7] c_mygrid[227][7] c_mygrid[228][7] c_mygrid[229][7] &
|
||||
c_mygrid[230][7] c_mygrid[231][7] c_mygrid[232][7] c_mygrid[233][7] c_mygrid[234][7] c_mygrid[235][7] c_mygrid[236][7] c_mygrid[237][7] c_mygrid[238][7] c_mygrid[239][7] &
|
||||
c_mygrid[240][7] c_mygrid[241][7] c_mygrid[242][7] c_mygrid[243][7] c_mygrid[244][7] c_mygrid[245][7] c_mygrid[246][7] c_mygrid[247][7] c_mygrid[248][7] c_mygrid[249][7] &
|
||||
c_mygrid[250][7] c_mygrid[251][7] c_mygrid[252][7] c_mygrid[253][7] c_mygrid[254][7] c_mygrid[255][7] c_mygrid[256][7] c_mygrid[257][7] c_mygrid[258][7] c_mygrid[259][7] &
|
||||
c_mygrid[260][7] c_mygrid[261][7] c_mygrid[262][7] c_mygrid[263][7] c_mygrid[264][7] c_mygrid[265][7] c_mygrid[266][7] c_mygrid[267][7] c_mygrid[268][7] c_mygrid[269][7] &
|
||||
c_mygrid[270][7] c_mygrid[271][7] c_mygrid[272][7] c_mygrid[273][7] c_mygrid[274][7] c_mygrid[275][7] c_mygrid[276][7] c_mygrid[277][7] c_mygrid[278][7] c_mygrid[279][7] &
|
||||
c_mygrid[280][7] c_mygrid[281][7] c_mygrid[282][7] c_mygrid[283][7] c_mygrid[284][7] c_mygrid[285][7] c_mygrid[286][7] c_mygrid[287][7] c_mygrid[288][7] c_mygrid[289][7] &
|
||||
c_mygrid[290][7] c_mygrid[291][7] c_mygrid[292][7] c_mygrid[293][7] c_mygrid[294][7] c_mygrid[295][7] c_mygrid[296][7] c_mygrid[297][7] c_mygrid[298][7] c_mygrid[299][7] &
|
||||
c_mygrid[301][7] c_mygrid[302][7] c_mygrid[303][7] c_mygrid[304][7] c_mygrid[305][7] c_mygrid[306][7] c_mygrid[307][7] c_mygrid[308][7] c_mygrid[309][7] &
|
||||
c_mygrid[310][7] c_mygrid[311][7] c_mygrid[312][7] c_mygrid[313][7] c_mygrid[314][7] c_mygrid[315][7] c_mygrid[316][7] c_mygrid[317][7] c_mygrid[318][7] c_mygrid[319][7] &
|
||||
c_mygrid[320][7] c_mygrid[321][7] c_mygrid[322][7] c_mygrid[323][7] c_mygrid[324][7] c_mygrid[325][7] c_mygrid[326][7] c_mygrid[327][7] c_mygrid[328][7] c_mygrid[329][7] &
|
||||
c_mygrid[330][7] c_mygrid[331][7] c_mygrid[332][7] c_mygrid[333][7] c_mygrid[334][7] c_mygrid[335][7] c_mygrid[336][7] c_mygrid[337][7] c_mygrid[338][7] c_mygrid[339][7] &
|
||||
c_mygrid[340][7] c_mygrid[341][7] c_mygrid[342][7] c_mygrid[343][7] c_mygrid[344][7] c_mygrid[345][7] c_mygrid[346][7] c_mygrid[347][7] c_mygrid[348][7] c_mygrid[349][7] &
|
||||
c_mygrid[350][7] c_mygrid[351][7] c_mygrid[352][7] c_mygrid[353][7] c_mygrid[354][7] c_mygrid[355][7] c_mygrid[356][7] c_mygrid[357][7] c_mygrid[358][7] c_mygrid[359][7] &
|
||||
c_mygrid[360][7] c_mygrid[361][7] c_mygrid[362][7] c_mygrid[363][7] c_mygrid[364][7] c_mygrid[365][7] c_mygrid[366][7] c_mygrid[367][7] c_mygrid[368][7] c_mygrid[369][7] &
|
||||
c_mygrid[370][7] c_mygrid[371][7] c_mygrid[372][7] c_mygrid[373][7] c_mygrid[374][7] c_mygrid[375][7] c_mygrid[376][7] c_mygrid[377][7] c_mygrid[378][7] c_mygrid[379][7] &
|
||||
c_mygrid[380][7] c_mygrid[381][7] c_mygrid[382][7] c_mygrid[383][7] c_mygrid[384][7]
|
||||
|
||||
thermo_modify norm yes
|
||||
|
||||
|
||||
Reference in New Issue
Block a user