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Removed extra output
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2AUK committed Sep 23, 2022
1 parent cb1bd22 commit 7596b55
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions pyrism/rism_ctrl.py
Original file line number Diff line number Diff line change
Expand Up @@ -18,6 +18,7 @@
import Functionals
import Util
from numba import njit, jit, prange
import cProfile

from dataclasses import dataclass, field

Expand Down Expand Up @@ -439,8 +440,6 @@ def solve(self, dat1, dat2=None):

self.build_Ur(dat1, dat1, lam)
self.build_renorm(dat1, dat1, 1.0, lam)
print(dat1.u)
print(dat1.u.shape, dat1.u.strides)
dat1.u_sr = dat1.u - dat1.ur_lr
self.solve_vv(lam)

Expand Down Expand Up @@ -573,3 +572,4 @@ def build_Ur_impl(npts, ns1, ns2, sr_pot, mix, cou, atoms1, atoms2, r, charge_co
mol.uv.T = float(sys.argv[3])
mol.uv.calculate_beta()
mol.do_rism()
#cProfile.run("mol.do_rism()")

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