From bc787cc763c32ea7b9ffddcb1c008365bdc4d536 Mon Sep 17 00:00:00 2001 From: Jeongnim Kim Date: Mon, 25 Feb 2013 14:39:32 +0000 Subject: [PATCH] Allow more FFT grids beyond 128. git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@5737 e5b18d87-469d-4833-9cc0-8cdfa06e9491 --- .../EinsplineSetBuilderReadBands_ESHDF.cpp | 52 ++++++++++--------- 1 file changed, 28 insertions(+), 24 deletions(-) diff --git a/src/QMCWaveFunctions/EinsplineSetBuilderReadBands_ESHDF.cpp b/src/QMCWaveFunctions/EinsplineSetBuilderReadBands_ESHDF.cpp index 7a1c7c286..b01001922 100644 --- a/src/QMCWaveFunctions/EinsplineSetBuilderReadBands_ESHDF.cpp +++ b/src/QMCWaveFunctions/EinsplineSetBuilderReadBands_ESHDF.cpp @@ -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;