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Fix projections problems in ipynotebuuks 

Former-commit-id: f5e8fe3da867ec37ee81d7e87ff086c888830f33
This commit is contained in:
Marek Nečada 2018-10-03 20:26:47 +03:00
parent c3e234b892
commit 77b4a5053a
2 changed files with 11 additions and 11 deletions
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16
qpms/apps/hexlattice_ewald.c
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@ -11,9 +11,9 @@
#define MAXOMEGACOUNT 1000 #define MAXOMEGACOUNT 1000
#define MAXKCOUNT 20 // serves as klist default buffer size if KSTDIN is defined #define MAXKCOUNT 200 // 200 // serves as klist default buffer size if KSTDIN is defined
#define KMINCOEFF 0.998 // not used if KSTDIN defined #define KMINCOEFF 0.783 //0.9783 // 0.783 // not used if KSTDIN defined
#define KMAXCOEFF 1.002 // not used if KSTDIN defined #define KMAXCOEFF 1.217 //1.0217 // 1.217 // not used if KSTDIN defined
#define KLAYERS 20 #define KLAYERS 20
#define RLAYERS 20 #define RLAYERS 20
@ -113,14 +113,14 @@ int main (int argc, char **argv) {
const point2d pshift0 = {0, 0}; const point2d pshift0 = {0, 0};
point2d pshiftAB = {0, 0}, pshiftBA = {0,0}; point2d pshiftAB = {0, 0}, pshiftBA = {0,0};
if(rs_orientation == TRIANGULAR_VERTICAL) { // CHECKSIGN if(rs_orientation == TRIANGULAR_VERTICAL) { // CHECKSIGN
pshiftAB.x = h/2; pshiftAB.x = h;///2;
pshiftBA.x = -h/2; pshiftBA.x = -h;///2;
} else { // CHECKSIGN } else { // CHECKSIGN
pshiftAB.y = -h/2; pshiftAB.y = -h;///2;
pshiftBA.y = h/2; pshiftBA.y = h;///2;
} }
qpms_trans_calculator *c = qpms_trans_calculator_init(lMax, QPMS_NORMALISATION_POWER); // vai POWER_CS? qpms_trans_calculator *c = qpms_trans_calculator_init(lMax, QPMS_NORMALISATION_POWER_CS); // vai POWER_CS?
FILE *out = fopen(outfile, "w"); FILE *out = fopen(outfile, "w");
FILE *err = NULL; FILE *err = NULL;

6
qpms/qpms_p.py
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@ -936,13 +936,13 @@ def loadWfile_processed(fileName, lMax = None, fatForm = True, midk_halfwidth =
lMax = data['lMax'][()] lMax = data['lMax'][()]
nelem = lMax2nelem(lMax) nelem = lMax2nelem(lMax)
if freqlimits is not None: if freqlimits is not None:
minind = np.searchsorted(freqs, freqlimits[0], size='left') minind = np.searchsorted(freqs, freqlimits[0], side='left')
maxind = np.searchsorted(freqs, freqlimits[1], size='right') maxind = np.searchsorted(freqs, freqlimits[1], side='right')
freqs = freqs[minind:maxind] freqs = freqs[minind:maxind]
Ws = Ws[minind:maxind] Ws = Ws[minind:maxind]
k0s = k0s[minind:maxind] k0s = k0s[minind:maxind]
EeVs_orig = EeVs_orig[minind:maxind] EeVs_orig = EeVs_orig[minind:maxind]
freqs_weirdunints = freqs_weirdunits[minint:maxind] freqs_weirdunints = freqs_weirdunits[minind:maxind]
nfreqs = maxind-minind nfreqs = maxind-minind
if iteratechunk is None: # everyting at once if iteratechunk is None: # everyting at once
if fatForm: #indices: (...,) destparticle, desttype, desty, srcparticle, srctype, srcy if fatForm: #indices: (...,) destparticle, desttype, desty, srcparticle, srctype, srcy