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Commit a02b1a04 authored by Philipp Arras's avatar Philipp Arras
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parent 597286b4
Pipeline #29991 passed with stages
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          nifty4/extra/energy_tests.py
          View file @ a02b1a04
          ...@@ -17,7 +17,6 @@ ...@@ -17,7 +17,6 @@
          # and financially supported by the Studienstiftung des deutschen Volkes. # and financially supported by the Studienstiftung des deutschen Volkes.
          import numpy as np import numpy as np
          from ..field import Field
          from ..sugar import from_random from ..sugar import from_random
          __all__ = ["check_value_gradient_consistency", __all__ = ["check_value_gradient_consistency",
          ...@@ -50,7 +49,7 @@ def check_value_gradient_consistency(E, tol=1e-6, ntries=100): ...@@ -50,7 +49,7 @@ def check_value_gradient_consistency(E, tol=1e-6, ntries=100):
          E2 = _get_acceptable_energy(E) E2 = _get_acceptable_energy(E)
          val = E.value val = E.value
          dir = E2.position - E.position dir = E2.position - E.position
          Enext = E2 # Enext = E2
          dirnorm = dir.norm() dirnorm = dir.norm()
          dirder = E.gradient.vdot(dir)/dirnorm dirder = E.gradient.vdot(dir)/dirnorm
          for i in range(50): for i in range(50):
          ...@@ -70,7 +69,7 @@ def check_value_gradient_curvature_consistency(E, tol=1e-6, ntries=100): ...@@ -70,7 +69,7 @@ def check_value_gradient_curvature_consistency(E, tol=1e-6, ntries=100):
          for _ in range(ntries): for _ in range(ntries):
          E2 = _get_acceptable_energy(E) E2 = _get_acceptable_energy(E)
          dir = E2.position - E.position dir = E2.position - E.position
          Enext = E2 # Enext = E2
          dirnorm = dir.norm() dirnorm = dir.norm()
          dirder = E.gradient.vdot(dir)/dirnorm dirder = E.gradient.vdot(dir)/dirnorm
          dgrad = E.curvature(dir)/dirnorm dgrad = E.curvature(dir)/dirnorm
          ......
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