PsiInput is a Psi input file. More...
#include <psiinput.h>
Inheritance diagram for sc::PsiInput:
Collaboration diagram for sc::PsiInput:
Public Member Functions | |
| PsiInput (const string &name) | |
| void | open () |
| void | close () |
| void | print (std::ostream &) |
| void | begin_section (const char *s) |
| void | end_section () |
| void | write_indent () |
| void | incindent (int) |
| void | decindent (int) |
| void | write_comment (const char *) |
| void | write_keyword (const char *, const char *) |
| void | write_keyword (const char *, int) |
| void | write_keyword (const char *, double) |
| void | write_keyword_array (const char *, int, int *) |
| void | write_keyword_array (const char *, int, double *) |
| void | write_string (const char *) |
| void | write_key_wq (const char *, const char *) |
| void | write_basis (const Ref< GaussianBasisSet > &) |
| Construct the "basis" keyword for input. | |
| void | write_basis_sets (const Ref< GaussianBasisSet > &) |
| Write basis sets explicitly. | |
| void | write_geom (const Ref< Molecule > &) |
| void | write_defaults (const Ref< PsiExEnv > &, const char *dertype) |
 Public Member Functions inherited from sc::RefCount | |
| int | lock_ptr () const |
| Lock this object. | |
| int | unlock_ptr () const |
| Unlock this object. | |
| void | use_locks (bool inVal) |
| start and stop using locks on this object | |
| refcount_t | nreference () const |
| Return the reference count. | |
| refcount_t | reference () |
| Increment the reference count and return the new count. | |
| refcount_t | dereference () |
| Decrement the reference count and return the new count. | |
| int | managed () const |
| void | unmanage () |
| Turn off the reference counting mechanism for this object. More... | |
| int | managed () const |
| Return 1 if the object is managed. Otherwise return 0. | |
| Public Member Functions inherited from sc::Identity | |
| Identifier | identifier () |
| Return the Identifier for this argument. More... | |
Additional Inherited Members | |
| Protected Member Functions inherited from sc::RefCount | |
| RefCount (const RefCount &) | |
| RefCount & | operator= (const RefCount &) |
Detailed Description
PsiInput is a Psi input file.
The documentation for this class was generated from the following file: