sc::R12IntsAcc_Node0File(3)

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version 2.3.1 · 5 versions
, in ubuntu jammy

💅 sc::R12IntsAcc_Node0File 💅

okay so bestie, welcome to the MPQC manual page for sc::R12IntsAcc_Node0File(3) — yes, the whole manual name is folded in right here near the top so you don’t have to squint at some old-school header. This page is literally all about this class, and we’re keeping every deet. 💖✨

✨ NAME ✨

sc::R12IntsAcc_Node0File — that’s the class, and this is its manual page. iconic. 💅

💖 SYNOPSIS 💖

Inherits sc::R12IntsAcc.

🌈 Public Member Functions 🌈

  • R12IntsAcc_Node0File (Ref< MemoryGrp > &mem, const char *filename, int num_te_types, int ni, int nj, int nx, int ny) — the big constructor moment, with all those exact arguments. 🎀
  • R12IntsAcc_Node0File (StateIn &) — another constructor, this one taking a 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. important order-energy, ngl. ⭐
  • void store_memorygrp (Ref< MemoryGrp > &mem, int ni, const size_t blksize=0) — stores all pair block of integrals held in mem. 💾✨
  • void store_pair_block (int i, int j, double *ints) — stores an ij pair block of integrals to the file. 🍓
  • void commit () — commit the content of the accumulator for reading - deactivate the associated MemoryGrp and activate the accumulator. 🔥
  • void activate () — call when ready to start reading content. 👑
  • void deactivate () — done reading content - activate the associated MemoryGrp This is a collective operation. 💀
  • double * retrieve_pair_block (int i, int j, tbint_type oper_type) — retrieves an ij pair block of integrals from the file. 🎀
  • void release_pair_block (int i, int j, tbint_type oper_type) — releases an ij pair block of integrals. 🫶
  • bool is_local (int i, int j) const — is this block stored locally? 🌸
  • bool is_avail (int i, int j) const — in this implementation blocks are available only on node 0. node 0 main character energy fr fr. 💅
  • bool has_access (int proc) const — does this task have access to all the integrals? 🦋
  • bool can_restart () const — can restart Node0File-based accumulator. 🔁
  • int ij_index (int i, int j) const — no extra description on this page. 🎀
  • int ij_proc (int i, int j) const — no extra description on this page. 🌈

🫶 Additional Inherited Members 🫶

There are additional inherited members tucked under this heading in the original page, and this is that heading, bestie. 💖

🔥 Member Function Documentation 🔥

🌸 void sc::R12IntsAcc_Node0File::commit () [virtual] 🌸

Commit the content of the accumulator for reading - deactivate the associated MemoryGrp and activate the accumulator. This is a collective operation.

Reimplemented from sc::R12IntsAcc.

🦋 void sc::R12IntsAcc_Node0File::save_data_state (StateOut &) [virtual] 🦋

Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. This must be implemented by the derived class if the class has data.

Reimplemented from sc::R12IntsAcc.

💾 void sc::R12IntsAcc_Node0File::store_memorygrp (Ref< MemoryGrp > & mem, int ni, const size_t blksize = 0) [virtual] 💾

Stores all pair block of integrals held in mem. By default blocks are appended to the end of the same file, i.e. they are assumed to have come from consecutive passes of the same transformation. This is a collective operation. See documentation for R12IntsAcc::store_memorygrp() for more info.

Implements sc::R12IntsAcc.

🧚 Author 🧚

Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1 · Sun Oct 4 2020 · sc::R12IntsAcc_Node0File(3) · MPQC — that’s the whole page, bestie, slay your integrals 💅✨

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