issues
search
OrderN
/
CONQUEST-release
Full public release of large scale and linear scaling DFT code CONQUEST
http://www.order-n.org/
MIT License
93
stars
24
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Extract inner cri calc into separate subroutine
#349
connoraird
opened
11 hours ago
0
Update versions of github actions
#348
tkoskela
closed
1 day ago
1
test_003 fails with XC_LIBRARY = CQ
#347
tkoskela
opened
1 day ago
0
Refactor duplicated code in m_kern_exx_ subroutines
#346
tkoskela
opened
3 days ago
7
Fix error in l-m resolved pDOS
#345
davidbowler
opened
1 week ago
0
Error in l-m resolved projected DOS
#344
davidbowler
opened
1 week ago
0
Backtrack line minimisation can fail
#343
davidbowler
opened
2 weeks ago
0
Add system.make file for cosma
#342
tkoskela
opened
4 weeks ago
2
Add system.make file for Cosma
#341
tkoskela
closed
4 weeks ago
1
Add system.make file for archer2
#340
tkoskela
closed
2 weeks ago
1
Investigate FFTs
#339
tkoskela
opened
1 month ago
0
Strange Fermi energy for gapped states
#338
tsuyoshi38
opened
1 month ago
0
Data alignment in m_kern_min
#337
tkoskela
closed
1 month ago
1
Output error with variable spin and Methfessel-Paxton smearing
#336
davidbowler
opened
1 month ago
0
Changed default system.make behaviour, tidied up files
#335
davidbowler
closed
1 month ago
1
Removing repeated code in python test file
#334
connoraird
closed
18 hours ago
0
Updates to fix RTD and add information on restarting
#333
davidbowler
closed
2 months ago
0
Change system.make approach in Makefile
#332
davidbowler
closed
1 month ago
3
Update kathleen system make file
#331
connoraird
closed
2 months ago
1
Updated manual entry for padding of matrices
#330
davidbowler
closed
2 months ago
0
Separate system specific and non system specific things in system.make
#329
tkoskela
opened
2 months ago
7
Correct array references and allocation in LibXC modules
#328
davidbowler
closed
2 months ago
0
Optimize ompGemm_m multiply kernel
#327
tkoskela
opened
2 months ago
5
Change test titles to remove numbering
#326
davidbowler
opened
2 months ago
0
add topics
#325
Beliavsky
opened
2 months ago
0
276 thread exx phi on grid
#324
connoraird
closed
2 months ago
0
276 use blas
#323
connoraird
closed
2 months ago
1
Non-zero forces for perfect bulk with some k-point meshes
#322
davidbowler
closed
2 months ago
4
Possible bug when running on one MPI process
#321
tkoskela
opened
2 months ago
5
276 combine nsf loops
#320
connoraird
closed
1 month ago
2
Properly abort the calculation if wrong method for variable temperatu…
#319
AugustinLu
closed
2 months ago
3
Add extended XYZ file output for static run and structural optimization
#318
JianboLin
closed
2 months ago
4
Add system.make file for myriad
#317
tkoskela
closed
1 month ago
1
Corrected the expression for the temperature change rate (control.f90).
#316
AugustinLu
closed
2 months ago
4
Temperature change per step in variable temperature MD
#315
AugustinLu
closed
2 months ago
0
Release 1.3
#314
davidbowler
closed
1 month ago
1
pseudo_tm_info uses XC
#313
tkoskela
opened
2 months ago
3
Changing the order of atoms in velocity.dat
#312
tsuyoshi38
opened
2 months ago
0
Possibility of stopping properly MD whereas the number of steps is not reached
#311
lionelalexandre
closed
2 months ago
2
Instructions for installation (Ubuntu/WSL)
#310
AugustinLu
opened
3 months ago
7
Change the format of the forces written in extXYZ output
#309
AugustinLu
closed
3 months ago
0
Kathleen system.make file is using Conquest XC library
#308
tkoskela
closed
2 months ago
2
Change distance criteria to be consistent
#307
davidbowler
closed
3 months ago
0
Non-halo atom error in set_bucket_module.f90
#306
davidbowler
closed
3 months ago
3
Add extended XYZ file output for static run and structural optimization
#305
JianboLin
closed
2 months ago
4
Repeated code in testsuite
#304
tkoskela
opened
3 months ago
0
Fix order of flags in Makefile
#303
tkoskela
closed
3 months ago
0
Compile pseudo_tm_info.f90 without optimisation
#302
davidbowler
closed
3 months ago
2
Possible issue with gcc@13
#301
connoraird
closed
3 months ago
10
F pao2gto dev
#300
lionelalexandre
closed
3 months ago
0
Next