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sc::PsiFile11 Class ReferencePsiFile11 is a Psi gradient file.
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#include <psifile11.h>
Inheritance diagram for sc::PsiFile11: 
[legend]Collaboration diagram for sc::PsiFile11:
[legend]List of all members.
Public Methods |
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| PsiFile11 (const string &name) |
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| ~PsiFile11 () |
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void | open () |
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void | close () |
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void | remove () |
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int | get_natom (int entry) |
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double | get_energy (int entry) |
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double | get_coord (int entry, int atom, int xyz) |
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double | get_grad (int entry, int atom, int xyz) |
Detailed Description
PsiFile11 is a Psi gradient file.
The documentation for this class was generated from the following file:
Generated at Fri Jan 10 08:16:05 2003 for MPQC
2.1.3 using the documentation package Doxygen
1.2.14.
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