Searched refs:b2nm (Results 1 – 2 of 2) sorted by relevance
| /dports/science/lammps/lammps-stable_29Sep2021/tools/i-pi/ipi/utils/ |
| H A D | nmtransform.py | 48 b2nm = np.zeros((nbeads,nbeads))
49 b2nm[0,:] = np.sqrt(1.0)
52 b2nm[i,j] = np.sqrt(2.0)*np.cos(2*np.pi*j*i/float(nbeads))
54 b2nm[i,j] = np.sqrt(2.0)*np.sin(2*np.pi*j*i/float(nbeads))
56 b2nm[nbeads/2,0:nbeads:2] = 1.0
57 b2nm[nbeads/2,1:nbeads:2] = -1.0
58 return b2nm/np.sqrt(nbeads)
116 def b2nm(self, q): member in nm_trans
222 def b2nm(self, q): member in nm_fft
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| /dports/science/lammps/lammps-stable_29Sep2021/tools/i-pi/ipi/engine/ |
| H A D | normalmodes.py | 140 func={"q": (lambda : self.transform.b2nm(depstrip(self.beads.q)) ) },
145 func={"p": (lambda : self.transform.b2nm(depstrip(self.beads.p)) ) },
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