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Allow more FFT grids beyond 128. 

git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@5737 e5b18d87-469d-4833-9cc0-8cdfa06e9491
This commit is contained in:
Jeongnim Kim 2013-02-25 14:39:32 +00:00
parent 7eed972e13
commit bc787cc763
1 changed files with 28 additions and 24 deletions
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52
src/QMCWaveFunctions/EinsplineSetBuilderReadBands_ESHDF.cpp
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@ -672,31 +672,35 @@ namespace qmcplusplus {
if(hasPsig)
{
int nallowed=221;
int nallowed=257;
int allowed[] = {
72,80,90,96,100,108,120,128,144,150,
160,162,180,192,200,216,240,250,256,270,
288,300,320,324,360,384,400,432,450,480,
486,500,512,540,576,600,640,648,720,750,
768,800,810,864,900,960,972,1000,1024,1080,
1152,1200,1250,1280,1296,1350,1440,1458,1500,1536,
1600,1620,1728,1800,1920,1944,2000,2048,2160,2250,
2304,2400,2430,2500,2560,2592,2700,2880,2916,3000,
3072,3200,3240,3456,3600,3750,3840,3888,4000,4050,
4096,4320,4374,4500,4608,4800,4860,5000,5120,5184,
5400,5760,5832,6000,6144,6250,6400,6480,6750,6912,
7200,7290,7500,7680,7776,8000,8100,8192,8640,8748,
9000,9216,9600,9720,10000,10240,10368,10800,11250,11520,
11664,12000,12150,12288,12500,12800,12960,13122,13500,13824,
14400,14580,15000,15360,15552,16000,16200,16384,17280,17496,
18000,18432,18750,19200,19440,20000,20250,20480,20736,21600,
21870,22500,23040,23328,24000,24300,24576,25000,25600,25920,
26244,27000,27648,28800,29160,30000,30720,31104,31250,32000,
32400,32768,33750,34560,34992,36000,36450,36864,37500,38400,
38880,39366,40000,40500,40960,41472,43200,43740,45000,46080,
46656,48000,48600,49152,50000,51200,51840,52488,54000,55296,
56250,57600,58320,60000,60750,61440,62208,62500,64000,64800,
65536};
72,75,80,81,90,96,100,108,120,125,
128,135,144,150,160,162,180,192,200,216,
225,240,243,250,256,270,288,300,320,324,
360,375,384,400,405,432,450,480,486,500,
512,540,576,600,625,640,648,675,720,729,
750,768,800,810,864,900,960,972,1000,1024,
1080,1125,1152,1200,1215,1250,1280,1296,1350,1440,
1458,1500,1536,1600,1620,1728,1800,1875,1920,1944,
2000,2025,2048,2160,2187,2250,2304,2400,2430,2500,
2560,2592,2700,2880,2916,3000,3072,3125,3200,3240,
3375,3456,3600,3645,3750,3840,3888,4000,4050,4096,
4320,4374,4500,4608,4800,4860,5000,5120,5184,5400,
5625,5760,5832,6000,6075,6144,6250,6400,6480,6561,
6750,6912,7200,7290,7500,7680,7776,8000,8100,8192,
8640,8748,9000,9216,9375,9600,9720,10000,10125,10240,
10368,10800,10935,11250,11520,11664,12000,12150,12288,12500,
12800,12960,13122,13500,13824,14400,14580,15000,15360,15552,
15625,16000,16200,16384,16875,17280,17496,18000,18225,18432,
18750,19200,19440,19683,20000,20250,20480,20736,21600,21870,
22500,23040,23328,24000,24300,24576,25000,25600,25920,26244,
27000,27648,28125,28800,29160,30000,30375,30720,31104,31250,
32000,32400,32768,32805,33750,34560,34992,36000,36450,36864,
37500,38400,38880,39366,40000,40500,40960,41472,43200,43740,
45000,46080,46656,46875,48000,48600,49152,50000,50625,51200,
51840,52488,54000,54675,55296,56250,57600,58320,59049,60000,
60750,61440,62208,62500,64000,64800,65536
};
int numk=0;
MaxNumGvecs=0;