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Changed memory requirements.

This commit is contained in:
Sylvain Tricot 2022-02-08 15:19:26 +01:00
parent 1fd9509608
commit a657b1874e
2 changed files with 2 additions and 2 deletions
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2
src/msspec/calculator.py
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@ -945,7 +945,7 @@ class _PED(_MSCALCULATOR):
"""
data = self._get_scan(scan_type='theta_phi', level=level, theta=theta,
phi=phi, kinetic_energy=kinetic_energy, data=data,
malloc={'NPH_M': 8000}, **kwargs)
**kwargs)
return data
def get_energy_scan(self, phi=0, theta=0,

2
src/msspec/spec/fortran/memalloc/dim_mod.f
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@ -60,7 +60,7 @@ C ===============================================================
C N_BESS=100*NL_M
C N_GAUNT=5*NL_M
N_BESS=200*NL_M
N_BESS=300*NL_M
N_GAUNT=10*NL_M
NLTWO=2*NL_M