MPQC 3.0.0-alpha
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transform.h
1//
2// transform.h
3//
4// Copyright (C) 2009 Edward Valeev
5//
6// Author: Edward Valeev <evaleev@vt.edu>
7// Maintainer: EV
8//
9// This file is part of the SC Toolkit.
10//
11// The SC Toolkit is free software; you can redistribute it and/or modify
12// it under the terms of the GNU Library General Public License as published by
13// the Free Software Foundation; either version 2, or (at your option)
14// any later version.
15//
16// The SC Toolkit is distributed in the hope that it will be useful,
17// but WITHOUT ANY WARRANTY; without even the implied warranty of
18// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19// GNU Library General Public License for more details.
20//
21// You should have received a copy of the GNU Library General Public License
22// along with the SC Toolkit; see the file COPYING.LIB. If not, write to
23// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
24//
25// The U.S. Government is granted a limited license as per AL 91-7.
26//
27
28#ifndef _mpqc_src_lib_chemistry_qc_lcao_transform_h
29#define _mpqc_src_lib_chemistry_qc_lcao_transform_h
30
31
32namespace sc {
33
35
37 struct StoreMethod {
38 enum type { mem_posix = 0, posix = 1, mem_mpi = 2, mpi = 3, mem_only = 4 };
39 };
41 enum StorageType {StorageType_First=0, StorageType_Last=1,
42 StorageType_12=0, StorageType_13=1};
45 TwoBodyTransformType_ixjy=0, TwoBodyTransformType_ikjy=1,
46 TwoBodyTransformType_ijxy=2, TwoBodyTransformType_iRjS=3,
47 TwoBodyTransformType_ixjy_df=4,
48 TwoBodyTransformType_ijR=5,
49 TwoBodyTransformType_First=TwoBodyTransformType_ixjy,
50 TwoBodyTransformType_Last=TwoBodyTransformType_ijR
51 };
52 };
53
54} // end of namespace sc
55
56#endif // end of header guard
57
58
59// Local Variables:
60// mode: c++
61// c-file-style: "CLJ-CONDENSED"
62// End:
Contains all MPQC code up to version 3.
Definition mpqcin.h:14
Describes the method of storing transformed MO integrals.
Definition transform.h:37
Definition transform.h:34
TwoBodyTransformType
enumerates all known 4-center transform types
Definition transform.h:44
StorageType
How integrals are stored. Type_13 means (ix|jy) integrals are stored as (ij|xy)
Definition transform.h:41

Generated at Wed Sep 25 2024 02:45:29 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.12.0.