issues
search
william-dawson
/
NTPoly
A massively parallel library for computing the functions of sparse matrices.
https://william-dawson.github.io/NTPoly/
MIT License
18
stars
10
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Remove `be_verbose` option from the process grid
#237
william-dawson
closed
1 week ago
0
Guix packaging
#236
viperML
closed
3 weeks ago
1
miniconda helper update
#235
william-dawson
closed
2 months ago
0
Symmetry helpers
#234
william-dawson
closed
2 months ago
0
Feature for Scaling the Matrix by a Diagonal matrix
#233
william-dawson
closed
2 months ago
0
MPI C datatype instead of Fortran datatype
#232
Kokookster
opened
5 months ago
1
Nix Package for NTPoly
#231
maxwell-gisborne
closed
6 months ago
7
Whether can TRS be applied to the system with 0 electron temperature?
#230
jsboer
closed
6 months ago
2
Fix partial charge in the dense eigensolver
#229
william-dawson
closed
7 months ago
1
Does not link against `blis`: Undefined symbols for architecture arm64: "_dsyevd_", "_zheevd_"
#228
barracuda156
closed
5 months ago
9
Add a small benchmark driver to the UnitTest directory
#227
william-dawson
closed
9 months ago
0
Early exit feature for WOM
#226
william-dawson
closed
9 months ago
0
Memory Optimizations
#225
william-dawson
closed
9 months ago
1
Fix CI on Mac
#224
william-dawson
closed
9 months ago
0
Extra warnings added and fixes to make them clear
#223
william-dawson
closed
9 months ago
0
Fix matrix binary ops for large case where int4 isn't enough
#222
william-dawson
closed
10 months ago
0
Turn off automatic convergence in unit tests
#221
william-dawson
closed
11 months ago
0
Store more output data in the solver parameters
#220
william-dawson
opened
11 months ago
0
Better for solution near zero gx trace
#219
william-dawson
closed
11 months ago
0
Automatic Convergence Monitoring
#218
william-dawson
closed
12 months ago
0
Fix early exit of TRS4
#217
william-dawson
closed
1 year ago
0
Deallocations missing from writetomatrixmarket
#216
william-dawson
closed
1 year ago
0
Print Out Intermediary Energy Values in WOM
#215
william-dawson
closed
1 year ago
0
Fix some warnings detected by -Wextra
#214
william-dawson
closed
1 year ago
0
Update intel toolchains
#213
william-dawson
closed
1 year ago
0
Draft: "Fixes" for intel compilers
#212
william-dawson
opened
1 year ago
1
Merge triplet list feature
#211
william-dawson
closed
1 year ago
0
Python documentation
#210
william-dawson
closed
1 year ago
0
Method to estimate the homo-lumo gap
#209
william-dawson
closed
1 year ago
0
Use a suitable Fortran type for MPI version of long integer
#208
william-dawson
closed
1 year ago
1
Enforce F2003 Standard
#207
william-dawson
closed
1 year ago
1
Enforce Fortran2003 standard in CI
#206
william-dawson
closed
1 year ago
0
Should use a Fugaku file instead of K these days
#205
william-dawson
closed
1 year ago
0
Fix some warnings
#204
william-dawson
closed
1 year ago
0
The energy value shouldn't be doubly occupied
#203
william-dawson
closed
1 year ago
0
Safeguard against allocate assign
#202
william-dawson
closed
1 year ago
0
Implement Wave Operator Minimization Method
#201
william-dawson
closed
1 year ago
0
Code uniformity changes
#200
william-dawson
closed
1 year ago
0
Cleanup: don't use "ONLY" in wrappers for your own module
#199
william-dawson
closed
1 year ago
0
Mcweeny step helper routine
#198
william-dawson
closed
1 year ago
0
Unify code path of subroutine/function version of constructors
#197
william-dawson
closed
1 year ago
0
Bug with Intel 2021.7.1
#196
william-dawson
closed
1 year ago
2
Make the compute grid size function public
#195
william-dawson
closed
1 year ago
0
Print grid
#194
william-dawson
closed
1 year ago
1
Fix I/O for large number of entries (> integer)
#193
william-dawson
closed
1 year ago
0
Build fails on 10.7: error: invalid instruction mnemonic 'cvttsd2sil'
#192
barracuda156
closed
1 year ago
4
Easy way to print the process grid parameters
#191
william-dawson
closed
1 year ago
0
Increase optional parameters for eigenexa
#190
william-dawson
closed
1 year ago
0
Building shared libraries?
#189
thierry-FreeBSD
closed
1 year ago
3
Fix a bug where we checked an unallocated variable's properties
#188
william-dawson
closed
2 years ago
0
Next