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Fix some issues in using power method for EIG

This commit is contained in:
Sylvain Tricot 2020-03-11 16:40:26 +01:00
parent ff600a2e3d
commit 81bd65a001
2 changed files with 1 additions and 3973 deletions
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2
src/msspec/parameters.py
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@ -1536,7 +1536,7 @@ class CalculationParameters(BaseParameters):
#assert( p.value in (None, 'Sigma_n', 'G_n') ) #assert( p.value in (None, 'Sigma_n', 'G_n') )
assert( p.value in p.allowed_values) assert( p.value in p.allowed_values)
elif (self.global_parameters.spectroscopy == 'EIG' elif (self.global_parameters.spectroscopy == 'EIG'
and self.global_parameters.algorithm == 'power'): and self.global_parameters.algorithm == 'inversion'):
assert( p.value in p.allowed_values) assert( p.value in p.allowed_values)
else: else:
assert( p.value is None ) assert( p.value is None )

3972
src/msspec/spec/fortran/eig/mi/new.f.hidden
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