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tjlane
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thor
support code for x-ray scattering experiments
GNU General Public License v2.0
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misc extension fails to build with newer v of cython
#39
tjlane
opened
3 years ago
3
comer mann electron dens
#38
dermen
opened
5 years ago
0
compare to bornagain and see what code organization makes sense
#37
tjlane
opened
5 years ago
0
ADPs in structure factor calculation, continued
#36
apeck12
opened
6 years ago
0
Apeck12 diffuse
#35
tjlane
closed
6 years ago
0
ADPs in structure factor calculation
#34
apeck12
opened
6 years ago
2
correlate_intra test not working well
#33
tjlane
opened
7 years ago
0
revised reference implementation
#32
apeck12
closed
7 years ago
0
Diffuse
#31
apeck12
closed
7 years ago
0
wip test merge
#30
apeck12
closed
7 years ago
0
[WIP] Diffuse
#29
tjlane
opened
7 years ago
13
setup.py not working on Ubuntu 14.10
#28
CoChrists
closed
7 years ago
14
MPI for scattering calculations
#27
tjlane
opened
9 years ago
0
Scatter
#26
tjlane
closed
9 years ago
0
5-parameter gaussian formfactor
#25
tjlane
opened
9 years ago
0
[WIP] Density, Scatter Enchancements
#24
tjlane
closed
7 years ago
3
zero-intensity mask in correlations
#23
tjlane
opened
9 years ago
3
Hydrogens
#22
tjlane
closed
9 years ago
0
scatter should be able to ignore H's
#21
tjlane
closed
9 years ago
0
new pytables issues deprecation warning
#20
tjlane
closed
9 years ago
0
Difference
#19
tjlane
closed
9 years ago
0
add difference based inter correlation
#18
tjlane
opened
10 years ago
1
individual masks for different shots
#17
tjlane
closed
9 years ago
2
solvent inclusion in scattering simulation
#16
dermen
closed
10 years ago
3
documentation for scatter code
#15
tjlane
closed
10 years ago
1
Quaternion code needs clarification
#14
CoChrists
closed
10 years ago
13
incompatible with latest mdtraj
#13
dermen
closed
10 years ago
2
Gpu
#12
tjlane
closed
9 years ago
6
xray.Rings.correlate_intra "num_shots" arg broken
#11
dermen
closed
10 years ago
7
setup.py nvcc locate fails
#10
dermen
closed
10 years ago
8
legendre_assoc(): overflow
#9
CoChrists
opened
10 years ago
12
Shotset add method not implemented
#8
tjlane
closed
10 years ago
1
xray/Shotset: out of memory?
#7
CoChrists
opened
10 years ago
3
Why do we have two random rotation methods?
#6
tjlane
closed
9 years ago
14
optimize CPUScatter/GPUScatter
#5
tjlane
closed
7 years ago
15
shot-by-shot energy and/or masks
#4
tjlane
opened
10 years ago
1
add a reduce_rings method
#3
tjlane
opened
10 years ago
0
rings append behavior confusing
#2
tjlane
closed
10 years ago
2
correctness of function: sph_hrm_coefficients()
#1
CoChrists
closed
10 years ago
39