sc::TranslateDataIn – Convert data from other formats. Synopsis #include <translate.h> Public Member Functions TranslateDataIn (StateIn *s, TranslateData *t) Input data will come from s. virtual int get (char *, int) Read and translate data. virtual int get (short *, int) virtual int get (unsigned int *, int) virtual int get (int *, int) virtual int…
sc::TranslateDataByteSwap – Data translation to an external representation with bytes swapped. Synopsis #include <translate.h> Inherits sc::TranslateData. Public Member Functions virtual char format_code () Returns a code for the type of format for the external data. virtual void to_native (char *, int n) Overridden translation routines exist for all the basic types. virtual void to_external (char…
sc::TranslateData – Generic data translation. Synopsis #include <translate.h> Inherited by sc::TranslateDataByteSwap. Public Member Functions virtual char format_code () Returns a code for the type of format for the external data. virtual void to_native (char *, int n) Translates to native format in-place. virtual void to_external (char *, int n) Translates to external format in-place. virtual…
sc::Transform – Synopsis Inherits sc::DescribedClass. Public Member Functions Transform (const Ref< KeyVal > &) mat4 & transform () void translate (double, double, double) void translate (const vec3 &) void rotate (const vec3 &, double angle_degrees) void scale (double) void print (std::ostream &=ExEnv::out0()) const Print the object. Author Generated automatically by Doxygen for MPQC from the…
sc::TorsSimpleCo – The TorsSimpleCo class describes an torsion internal coordinate of a molecule. Synopsis #include <simple.h> Inherits sc::SimpleCo. Public Member Functions TorsSimpleCo (const TorsSimpleCo &) TorsSimpleCo (const char *refr, int, int, int, int) This constructor takes a string containing a label, and four integers a, b, c, and d which give the indices of the…
sc::ToleranceExceeded – This is thrown when when some tolerance is exceeded. Synopsis #include <scexception.h> Inherits sc::AlgorithmException. Public Member Functions ToleranceExceeded (const char *description=0, const char *file=0, int line=0, double tol=0, double val=0, const ClassDesc *class_desc=0, const char *exception_type=’ToleranceExceeded’) throw () ToleranceExceeded (const ToleranceExceeded &) throw () double tolerance () throw () double value () throw…
sc::Timer – The Timer class uses RegionTimer to time intervals in an exception safe manner. Synopsis #include <regtime.h> Public Member Functions Timer (const char *name) Start timing a region using the default RegionTimer and activate the timer. Timer (const Ref< RegionTimer > &, const char *name) Start timing a region using the given RegionTimer. ~Timer…
sc::TimedRegion – Synopsis Public Member Functions TimedRegion (const char *name) const char * name () const TimedRegion * findinsubregion (const char *) void cpu_enter (double) void wall_enter (double) void flops_enter (double) void cpu_exit (double) void wall_exit (double) void flops_exit (double) void cpu_add (double t) void wall_add (double t) void flops_add (double t) TimedRegion * up…
sc::ThreadLockHolder – Acquire a lock on creation and release it on destruction. Synopsis #include <thread.h> Public Member Functions ThreadLockHolder (const Ref< ThreadLock > &l) Acquires the lock. void unlock () Release the lock before the DTOR is called, if it is still held. void lock () Acquire the lock once more. ~ThreadLockHolder () Releases the…
sc::ThreadLock – The ThreadLock abstract class provides mutex locks to be used in conjunction with ThreadGrp’s. Synopsis #include <thread.h> Inherits sc::RefCount. Public Member Functions virtual void lock ()=0 Obtain the lock. virtual void unlock ()=0 Release the lock. Detailed Description The ThreadLock abstract class provides mutex locks to be used in conjunction with ThreadGrp’s. ThreadLock…
sc::ThreadGrp – The ThreadGrp abstract class provides a means to manage separate threads of control. Synopsis #include <thread.h> Inherits sc::DescribedClass. Inherited by sc::ProcThreadGrp, sc::PthreadThreadGrp, and sc::PumaThreadGrp. Public Member Functions ThreadGrp (const Ref< KeyVal > &) ThreadGrp (const ThreadGrp &, int nthread=-1) virtual void add_thread (int threadnum, Thread *thread) Assigns a Thread object to each thread….
sc::Thread – The Thread abstract class defines an interface which must be implemented by classes wishing to be run as threads. Synopsis #include <thread.h> Inherited by sc::CSGrad34Qbtr, sc::CSGradErep12Qtr, sc::CSGradS2PDM, sc::GBuild< T >, sc::HSOSV1Erep1Qtr, sc::TBGrad< T >, sc::TwoBodyMOIntsTransform_123Inds, sc::TwoBodyMOIntsTransform_12Inds, and sc::TwoBodyMOIntsTransform_13Inds. Public Member Functions virtual void run ()=0 This is called with the Thread is run…
sc::TaylorMolecularEnergy – Synopsis Inherits sc::MolecularEnergy. Public Member Functions TaylorMolecularEnergy (const Ref< KeyVal > &) TaylorMolecularEnergy (StateIn &) void save_data_state (StateOut &) Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. void print (std::ostream &=ExEnv::out0()) const Print information about the object. void compute () Recompute at…
sc::TCSCF – Synopsis Inherits sc::SCF. Inherited by sc::TCHF. Public Member Functions TCSCF (StateIn &) TCSCF (const Ref< KeyVal > &) void save_data_state (StateOut &) Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. void print (std::ostream &o=ExEnv::out0()) const Print information about the object. double occupation…
TCPSocket – Synopsis Inherited by TCPIOSocket, and TCPServerSocket. Public Member Functions void create () void bind (u_int16_t port_begin, u_int16_t port_fence) int port () u_int32_t addr () bool initialized () bool bound () virtual void close () Protected Attributes int socket_ int port_ bool initialized_ bool bound_ Author Generated automatically by Doxygen for MPQC from the…
TCPIOSocket – Synopsis Inherits TCPSocket. Inherited by TCPClientConnection, and TCPServerConnection. Public Member Functions int read (void *d, int n) int write (const void *d, int n) int read_int (int *d, int n) int write_int (const int *d, int n) int read_string (std::string &) int write_string (const std::string &) int read_int (int &) int write_int (int)…
sc::TCHF – Synopsis Inherits sc::TCSCF. Public Member Functions TCHF (StateIn &) TCHF (const Ref< KeyVal > &) void save_data_state (StateOut &) Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. void print (std::ostream &o=ExEnv::out0()) const Print information about the object. void two_body_energy (double &ec, double…
sc::TBGrad – Synopsis Inherits sc::Thread. Inherited by sc::LocalTBGrad< T >. Public Member Functions TBGrad (T &t, double ex=1.0) void set_scale (double &coulombscale, double &exchangescale, int i, int j, int k, int l) const Protected Attributes T & contribution double exchange_fraction template<class T> class sc::TBGrad< T > Author Generated automatically by Doxygen for MPQC from the…
sc::SystemException – This is thrown when a system problem occurs. Synopsis #include <scexception.h> Inherits sc::SCException. Inherited by sc::FileOperationFailed, sc::MemAllocFailed, and sc::SyscallFailed. Public Member Functions SystemException (const char *description=0, const char *file=0, int line=0, const ClassDesc *class_desc=0, const char *exception_type=’SystemException’) throw () SystemException (const SystemException &) throw () Detailed Description This is thrown when a system…
sc::SyscallFailed – This is thrown when an system call fails with an errno. Synopsis #include <scexception.h> Inherits sc::SystemException. Public Member Functions SyscallFailed (const char *description=0, const char *source_file=0, int line=0, const char *syscall=0, int err=0, const ClassDesc *class_desc=0, const char *exception_type=’SyscallFailed’) throw () SyscallFailed (const SyscallFailed &) throw () const char * syscall () const…