MPQC
2.3.1
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PsiExEnv specifies a Psi calculation. More...
#include <psiexenv.h>
Public Member Functions | |
PsiExEnv (const Ref< KeyVal > &) | |
PsiExEnv (char *cwd, char *fileprefix, int nscratch, char **scratch) | |
Ref< PsiInput > | get_psi_input () const |
Returns the PsiInput object which PsiExEnv uses. | |
Ref< PsiFile11 > | get_psi_file11 () const |
Returns the PsiFile11 object which PsiExEnv uses. | |
int | run_psi () |
Executes Psi input+driver. | |
int | run_psi_module (char *) |
Executes a Psi module. | |
string | get_cwd () const |
Returns current working directory. | |
string | get_fileprefix () const |
Returns the Psi file prefix. | |
int | get_nscratch () const |
Returns the number of scratch locations. | |
string | get_scratch (int i) const |
Returns the ith scratch location. | |
void | print (std::ostream &o=ExEnv::out0()) const |
Print the object. | |
Public Member Functions inherited from sc::DescribedClass | |
DescribedClass (const DescribedClass &) | |
DescribedClass & | operator= (const DescribedClass &) |
ClassDesc * | class_desc () const throw () |
This returns the unique pointer to the ClassDesc corresponding to the given type_info object. More... | |
const char * | class_name () const |
Return the name of the object's exact type. | |
int | class_version () const |
Return the version of the class. | |
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 &) |
PsiExEnv specifies a Psi calculation.