This code (p3dstatistics.cpp) can be used to create statistics from p3d files. It is a modified version of fstatistics.cpp
18 logger(
ERROR,
"No arguments; use p3statistics.exe filename [-options]");
22 if (strcmp(argv[1],
"-help") != 0)
23 logger(
INFO,
"Getting statistics from %.p3* (or .p4*) files ...",argv[1]);
30 for (
int i = 2;
i<argc;
i++) {
31 if (!strcmp(argv[
i],
"-stattype")) {
32 if (!strcmp(argv[
i+1],
"XYZ"))
T =
XYZ;
33 else if (!strcmp(argv[
i+1],
"RAZ"))
T =
RAZ;
34 else if (!strcmp(argv[
i+1],
"RA"))
T =
RA;
35 else if (!strcmp(argv[
i+1],
"RZ"))
T =
RZ;
36 else if (!strcmp(argv[
i+1],
"AZ"))
T =
AZ;
37 else if (!strcmp(argv[
i+1],
"R"))
T =
R;
38 else if (!strcmp(argv[
i+1],
"A"))
T =
A;
39 else if (!strcmp(argv[
i+1],
"YZ"))
T =
YZ;
40 else if (!strcmp(argv[
i+1],
"XZ"))
T =
XZ;
41 else if (!strcmp(argv[
i+1],
"XY"))
T =
XY;
42 else if (!strcmp(argv[
i+1],
"X"))
T =
X;
43 else if (!strcmp(argv[
i+1],
"Y"))
T =
Y;
44 else if (!strcmp(argv[
i+1],
"Z"))
T =
Z;
45 else if (!strcmp(argv[
i+1],
"O"))
T =
O;
57 stats.setDoPeriodicWalls(
false);
58 stats.statistics_from_p3();
61 stats.setDoPeriodicWalls(
false);
62 stats.statistics_from_p3();
65 stats.setDoPeriodicWalls(
false);
66 stats.statistics_from_p3();
69 stats.setDoPeriodicWalls(
false);
70 stats.statistics_from_p3();
73 stats.setDoPeriodicWalls(
false);
74 stats.statistics_from_p3();
77 stats.setDoPeriodicWalls(
false);
78 stats.statistics_from_p3();
81 stats.statistics_from_p3();
int i
Definition: BiCGSTAB_step_by_step.cpp:9
Logger< MERCURYDPM_LOGLEVEL > logger("MercuryKernel")
Definition of different loggers with certain modules. A user can define its own custom logger here.
LL< Log::ERROR > ERROR
Error log level.
Definition: Logger.cc:32
StatType
Creates averaged statistics (only valid if density field is homogenous along averaged direction)
Definition: StatisticsVector.h:20
@ AZ
Definition: StatisticsVector.h:21
@ XY
Definition: StatisticsVector.h:21
@ XZ
Definition: StatisticsVector.h:21
@ R
Definition: StatisticsVector.h:21
@ RA
Definition: StatisticsVector.h:21
@ YZ
Definition: StatisticsVector.h:21
@ XYZ
Definition: StatisticsVector.h:21
@ RAZ
Definition: StatisticsVector.h:21
@ RZ
Definition: StatisticsVector.h:21
@ O
Definition: StatisticsVector.h:21
Matrix< SCALARA, Dynamic, Dynamic, opt_A > A
Definition: bench_gemm.cpp:47
This class is used to extract statistical data from MD simulations.
Definition: StatisticsVector.h:41
#define X
Definition: icosphere.cpp:20
#define Z
Definition: icosphere.cpp:21
#define INFO(i)
Definition: mumps_solver.h:54
const char Y
Definition: test/EulerAngles.cpp:32