diff --git a/src/msspec/calcio.py b/src/msspec/calcio.py index eaba19e..79daed1 100644 --- a/src/msspec/calcio.py +++ b/src/msspec/calcio.py @@ -747,15 +747,15 @@ class SpecIO(object): content += line nat = p.extra_nat - nra_arr = np.ones((nat), dtype=np.int) + nra_arr = np.ones((nat), dtype=int) thfwd_arr = np.ones((nat)) path_filtering = p.extra_parameters['calculation'].get_parameter( 'path_filtering').value if (path_filtering is not None and 'backward_scattering' in path_filtering): - ibwd_arr = np.ones((nat), dtype=np.int) + ibwd_arr = np.ones((nat), dtype=int) else: - ibwd_arr = np.zeros((nat), dtype=np.int) + ibwd_arr = np.zeros((nat), dtype=int) thbwd_arr = np.ones((nat)) for at in p.extra_atoms: i = at.get('proto_index') - 1 diff --git a/src/msspec/calculator.py b/src/msspec/calculator.py index f3a58e4..17f36ba 100644 --- a/src/msspec/calculator.py +++ b/src/msspec/calculator.py @@ -303,7 +303,7 @@ class _MSCALCULATOR(Calculator): wf = 4.5 source_energy = self.source_parameters.get_parameter('energy').value ke = source_energy - binding_energy - wf - #return np.array(ke, dtype=np.float).flatten() + #return np.array(ke, dtype=float).flatten() return ke diff --git a/src/msspec/parameters.py b/src/msspec/parameters.py index 3b4b40c..f4fa39a 100644 --- a/src/msspec/parameters.py +++ b/src/msspec/parameters.py @@ -1322,8 +1322,8 @@ class ScanParameters(BaseParameters): # LOGGER.error('Incompatible options!') # raise ValueError(msg) - # p._value = np.array(p.value, dtype=np.float).flatten() - arr = np.array(p.value, dtype=np.float).flatten() + # p._value = np.array(p.value, dtype=float).flatten() + arr = np.array(p.value, dtype=float).flatten() theta0 = arr[0] theta1 = arr[-1] @@ -1357,7 +1357,7 @@ class ScanParameters(BaseParameters): # LOGGER.error('Incompatible options') # raise ValueError(msg) - arr = np.array(p.value, dtype=np.float).flatten() + arr = np.array(p.value, dtype=float).flatten() phi0 = arr[0] phi1 = arr[-1]