OpenAtom
Version1.5a
Main Page
Related Pages
Modules
Namespaces
Classes
Files
File List
File Members
structureFactor.ci
1
module structureFactor
2
{
3
// Forward declarations
4
class
UberCollection
;
5
6
message
SFDummyMsg
;
7
message
PPDummyMsg
;
8
9
10
11
12
// This is what is used if NOT using ees for nonlocal structure factor comp
13
array [3D]
StructureFactor
14
{
15
entry
StructureFactor
(
int
,
int
,
int
,
int
nsend,
int
destinations[nsend],
UberCollection
);
16
entry
void
acceptDestination(
int
nsend,
int
destinations[nsend]);
17
entry
void
computeSF(SFDummyMsg *msg);
18
entry
void
acceptKVectors(
int
n,
int
k_x[n],
int
k_y[n],
int
k_z[n]);
19
};
20
};
21
22
23
24
module structureFactorCache
25
{
26
message
StructFactorMsg
27
{
28
complex
structFactor[];
29
complex
structFactor_fx[];
30
complex
structFactor_fy[];
31
complex
structFactor_fz[];
32
};
33
34
35
36
37
// Place to hold the computed structure factor.
38
group
StructFactCache
39
{
40
entry
void
acceptStructFact(
StructFactorMsg
*msg);
41
entry
StructFactCache
(
int
numSfGrps,
int
natm_nl,
int
natm_nl_grp_max,
UberCollection
);
42
};
43
};
44
UberCollection
holds the UberIndex and the offset for proxies
Definition:
Uber.h:68
StructFactCache
Definition:
StructFactorCache.h:39
StructFactorMsg
Definition:
StructureFactorMessages.h:23
PPDummyMsg
Definition:
StructureFactorMessages.h:15
SFDummyMsg
Definition:
StructureFactorMessages.h:8
StructureFactor
Definition:
StructureFactor.h:20
complex
Definition:
convert_State2KPTState.C:7
src_charm_driver
structure_factor
structureFactor.ci
Generated on Wed Sep 17 2014 14:34:02 for OpenAtom by
1.8.6