mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-10-11 18:31:30 +02:00
8b22e38c9c
* 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
79 lines
2.2 KiB
OCaml
79 lines
2.2 KiB
OCaml
type t =
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{
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queue : Queuing_system.t ;
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state : Message.State.t option ;
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address_tcp : Address.Tcp.t option ;
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address_inproc : Address.Inproc.t option ;
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progress_bar : Progress_bar.t option ;
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running : bool;
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accepting_clients : bool;
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data : (string, string) Hashtbl.t ;
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}
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(** {1} Debugging *)
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(** Fetch the QP_TASK_DEBUG environment variable *)
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val debug_env : bool
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(** Print a debug message *)
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val debug : string -> unit
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(** {1} Zmq *)
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(** ZeroMQ context *)
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val zmq_context : Zmq.Context.t
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(** Bind a Zmq socket to a TCP port and to an IPC file /tmp/qp_run.<port> *)
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val bind_socket :
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socket_type:string -> socket:'a Zmq.Socket.t -> port:int -> unit
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(** Name of the host on which the server runs *)
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val hostname : string lazy_t
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(** IP address of the current host *)
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val ip_address : string lazy_t
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(** Standard messages *)
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val reply_ok : [> `Req ] Zmq.Socket.t -> unit
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val reply_wrong_state : [> `Req ] Zmq.Socket.t -> unit
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(** Stop server *)
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val stop : port:int -> unit
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(** {1} Server functions *)
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(** Create a new job *)
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val new_job : Message.Newjob_msg.t -> t -> [> `Req ] Zmq.Socket.t -> [> `Pair] Zmq.Socket.t -> t
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(** Finish a running job *)
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val end_job : Message.Endjob_msg.t -> t -> [> `Req ] Zmq.Socket.t -> [> `Pair] Zmq.Socket.t -> t
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(** Connect a client *)
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val connect: Message.Connect_msg.t -> t -> [> `Req ] Zmq.Socket.t -> t
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(** Disconnect a client *)
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val disconnect: Message.Disconnect_msg.t -> t -> [> `Req ] Zmq.Socket.t -> t
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(** Add a task to the pool *)
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val add_task: Message.AddTask_msg.t -> t -> [> `Req ] Zmq.Socket.t -> t
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(** Mark the task as done by the client *)
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val task_done: Message.TaskDone_msg.t -> t -> [> `Req ] Zmq.Socket.t -> t
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(** Delete a task when it has been pulled by the collector *)
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val del_task: Message.DelTask_msg.t -> t -> [> `Req ] Zmq.Socket.t -> t
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(** The client get a new task to execute *)
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val get_task: Message.GetTask_msg.t -> t -> [> `Req ] Zmq.Socket.t -> [> `Pair] Zmq.Socket.t -> t
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(** Terminate server *)
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val terminate : t -> [> `Req ] Zmq.Socket.t -> t
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(** Reply an Error message *)
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val error : string -> t -> [> `Req ] Zmq.Socket.t -> t
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(** Run server *)
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val run : port:int -> unit
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