From a657b1874e762ad6a71f720e9c04ea47ffbf2be7 Mon Sep 17 00:00:00 2001 From: Sylvain Tricot Date: Tue, 8 Feb 2022 15:19:26 +0100 Subject: [PATCH] Changed memory requirements. --- src/msspec/calculator.py | 2 +- src/msspec/spec/fortran/memalloc/dim_mod.f | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/src/msspec/calculator.py b/src/msspec/calculator.py index d78a1c9..ca18df4 100644 --- a/src/msspec/calculator.py +++ b/src/msspec/calculator.py @@ -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, diff --git a/src/msspec/spec/fortran/memalloc/dim_mod.f b/src/msspec/spec/fortran/memalloc/dim_mod.f index e0432a4..7a84c04 100644 --- a/src/msspec/spec/fortran/memalloc/dim_mod.f +++ b/src/msspec/spec/fortran/memalloc/dim_mod.f @@ -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