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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-06-13 16:15:18 +02:00
qp2/ocaml/TaskServer.mli
Anthony Scemama 8b22e38c9c
Develop (#15)
* fixed laplacian of aos

* corrected the laplacians of aos

* added dft_one_e

* added new feature for new dft functionals

* changed the configure to add new functionals

* changed the configure

* added dft_one_e/README.rst

* added README.rst in new_functionals

* added source/programmers_guide/new_ks.rst

* Thesis Yann

* Added gmp installation in configure

* improved qp_e_conv_fci

* Doc

* Typos

* Added variance_max

* Fixed completion in qp_create

* modif TODO

* fixed DFT potential for n_states gt 1

* improved pot pbe

* trying to improve sr PBE

* fixed potential pbe

* fixed the vxc smashed for pbe sr and normal

* Comments in selection

* bug fixed by peter

* Fixed bug with zero beta electrons

* Update README.rst

* Update e_xc_new_func.irp.f

* Update links.rst

* Update quickstart.rst

* Update quickstart.rst

* updated cipsi

* Fixed energies of non-expected s2 (#9)

* Moved diag_algorithm in Davdison

* Add print_ci_vector in tools (#11)

* Fixed energies of non-expected s2

* Moved diag_algorithm in Davdison

* Fixed travis

* Added print_ci_vector

* Documentation

* Cleaned qp_set_mo_class.ml

* Removed Core in taskserver

* Merge develop-toto and manus (#12)

* Fixed energies of non-expected s2

* Moved diag_algorithm in Davdison

* Fixed travis

* Added print_ci_vector

* Documentation

* Cleaned qp_set_mo_class.ml

* Removed Core in taskserver

* Frozen core for heavy atoms

* Improved molden module

* In sync with manus

* Fixed some of the documentation errors

* Develop toto (#13)

* Fixed energies of non-expected s2

* Moved diag_algorithm in Davdison

* Fixed travis

* Added print_ci_vector

* Documentation

* Cleaned qp_set_mo_class.ml

* Removed Core in taskserver

* Frozen core for heavy atoms

* Improved molden module

* In sync with manus

* Fixed some of the documentation errors

* Develop manus (#14)

* modified printing for rpt2

* Comment

* Fixed plugins

* Scripting for functionals

* Documentation

* Develop (#10)

* fixed laplacian of aos

* corrected the laplacians of aos

* added dft_one_e

* added new feature for new dft functionals

* changed the configure to add new functionals

* changed the configure

* added dft_one_e/README.rst

* added README.rst in new_functionals

* added source/programmers_guide/new_ks.rst

* Thesis Yann

* Added gmp installation in configure

* improved qp_e_conv_fci

* Doc

* Typos

* Added variance_max

* Fixed completion in qp_create

* modif TODO

* fixed DFT potential for n_states gt 1

* improved pot pbe

* trying to improve sr PBE

* fixed potential pbe

* fixed the vxc smashed for pbe sr and normal

* Comments in selection

* bug fixed by peter

* Fixed bug with zero beta electrons

* Update README.rst

* Update e_xc_new_func.irp.f

* Update links.rst

* Update quickstart.rst

* Update quickstart.rst

* updated cipsi

* Fixed energies of non-expected s2 (#9)

* Moved diag_algorithm in Davdison

* some modifs

* modified gfortran_debug.cfg

* fixed automatization of functionals

* modified e_xc_general.irp.f

* minor modifs in ref_bitmask.irp.f

* modifying functionals

* rs_ks_scf and ks_scf compiles with the automatic handling of functionals

* removed prints

* fixed configure

* fixed the new functionals

* Merge toto

* modified automatic functionals

* Changed python into python2

* from_xyz suppressed

* Cleaning repo

* Update README.md

* Update README.md

* Contributors

* Update GITHUB.md

* bibtex
2019-03-07 16:29:06 +01:00

79 lines
2.2 KiB
OCaml

type t =
{
queue : Queuing_system.t ;
state : Message.State.t option ;
address_tcp : Address.Tcp.t option ;
address_inproc : Address.Inproc.t option ;
progress_bar : Progress_bar.t option ;
running : bool;
accepting_clients : bool;
data : (string, string) Hashtbl.t ;
}
(** {1} Debugging *)
(** Fetch the QP_TASK_DEBUG environment variable *)
val debug_env : bool
(** Print a debug message *)
val debug : string -> unit
(** {1} Zmq *)
(** ZeroMQ context *)
val zmq_context : Zmq.Context.t
(** Bind a Zmq socket to a TCP port and to an IPC file /tmp/qp_run.<port> *)
val bind_socket :
socket_type:string -> socket:'a Zmq.Socket.t -> port:int -> unit
(** Name of the host on which the server runs *)
val hostname : string lazy_t
(** IP address of the current host *)
val ip_address : string lazy_t
(** Standard messages *)
val reply_ok : [> `Req ] Zmq.Socket.t -> unit
val reply_wrong_state : [> `Req ] Zmq.Socket.t -> unit
(** Stop server *)
val stop : port:int -> unit
(** {1} Server functions *)
(** Create a new job *)
val new_job : Message.Newjob_msg.t -> t -> [> `Req ] Zmq.Socket.t -> [> `Pair] Zmq.Socket.t -> t
(** Finish a running job *)
val end_job : Message.Endjob_msg.t -> t -> [> `Req ] Zmq.Socket.t -> [> `Pair] Zmq.Socket.t -> t
(** Connect a client *)
val connect: Message.Connect_msg.t -> t -> [> `Req ] Zmq.Socket.t -> t
(** Disconnect a client *)
val disconnect: Message.Disconnect_msg.t -> t -> [> `Req ] Zmq.Socket.t -> t
(** Add a task to the pool *)
val add_task: Message.AddTask_msg.t -> t -> [> `Req ] Zmq.Socket.t -> t
(** Mark the task as done by the client *)
val task_done: Message.TaskDone_msg.t -> t -> [> `Req ] Zmq.Socket.t -> t
(** Delete a task when it has been pulled by the collector *)
val del_task: Message.DelTask_msg.t -> t -> [> `Req ] Zmq.Socket.t -> t
(** The client get a new task to execute *)
val get_task: Message.GetTask_msg.t -> t -> [> `Req ] Zmq.Socket.t -> [> `Pair] Zmq.Socket.t -> t
(** Terminate server *)
val terminate : t -> [> `Req ] Zmq.Socket.t -> t
(** Reply an Error message *)
val error : string -> t -> [> `Req ] Zmq.Socket.t -> t
(** Run server *)
val run : port:int -> unit