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Fix typos in doc examples (pyscf#2672)
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* Fix typos in doc examples

* Fix doc atom_pure_symbol
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Ydrnan authored Jan 26, 2025
1 parent 4e2b960 commit 7ff869f
Showing 1 changed file with 5 additions and 5 deletions.
10 changes: 5 additions & 5 deletions pyscf/gto/mole.py
Original file line number Diff line number Diff line change
Expand Up @@ -3127,7 +3127,7 @@ def atom_pure_symbol(self, atm_id):
Examples:
>>> mol.build(atom='H^2 0 0 0; H 0 0 1.1')
>>> mol.atom_symbol(0)
>>> mol.atom_pure_symbol(0)
H
'''
return _std_symbol(self._atom[atm_id][0])
Expand Down Expand Up @@ -3277,7 +3277,7 @@ def bas_angular(self, bas_id):
Examples:
>>> mol.build(atom='H 0 0 0; Cl 0 0 1.1', basis='cc-pvdz')
>>> mol.bas_atom(7)
>>> mol.bas_angular(7)
2
'''
return int(self._bas[bas_id,ANG_OF])
Expand All @@ -3292,7 +3292,7 @@ def bas_nctr(self, bas_id):
Examples:
>>> mol.build(atom='H 0 0 0; Cl 0 0 1.1', basis='cc-pvdz')
>>> mol.bas_atom(3)
>>> mol.bas_nctr(3)
3
'''
return int(self._bas[bas_id,NCTR_OF])
Expand All @@ -3307,7 +3307,7 @@ def bas_nprim(self, bas_id):
Examples:
>>> mol.build(atom='H 0 0 0; Cl 0 0 1.1', basis='cc-pvdz')
>>> mol.bas_atom(3)
>>> mol.bas_nprim(3)
11
'''
return int(self._bas[bas_id,NPRIM_OF])
Expand Down Expand Up @@ -3337,7 +3337,7 @@ def bas_exp(self, bas_id):
Examples:
>>> mol.build(atom='H 0 0 0; Cl 0 0 1.1', basis='cc-pvdz')
>>> mol.bas_kappa(0)
>>> mol.bas_exp(0)
[ 13.01 1.962 0.4446]
'''
nprim = self.bas_nprim(bas_id)
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