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SALMON-TDDFT
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SALMON2
SALMON 2.0.0 Development Repository
https://salmon-tddft.jp/
Apache License 2.0
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add correction to the current in the sbe mode
#1206
mn2007
closed
1 week ago
1
base_directory & sysname for all output files
#1205
syamada0
closed
3 weeks ago
1
calc_density@update_density_and_potential --> calc_density@scf_iteration_dft
#1204
syamada0
closed
3 weeks ago
1
copy_density@scf_iteration_dft --> copy_density@update_density_and_potential
#1203
syamada0
closed
3 weeks ago
1
scf_iteration_step --> solve_orbitals & update_density_and_potential
#1202
syamada0
closed
3 weeks ago
2
SALMON with GPU (invalid device symbol)
#1201
DaveiV
opened
1 month ago
0
Virial theorem
#1200
MZKC
opened
2 months ago
1
Added the simple mixing method for the potentials.
#1199
shunsuke-sato
closed
2 months ago
1
Added a new variable, dk_shift, to shift the Brillouin zone sampling.
#1198
shunsuke-sato
closed
2 months ago
1
yn_out_rt_energy_components
#1197
syamada0
closed
2 months ago
1
v.2.2.1: change version
#1196
syamada0
closed
3 months ago
2
modify definition of the excitation energy for yn_fix_func=y
#1195
syamada0
closed
3 months ago
2
Add rt_energy.data export in Maxwell+SBE routine
#1194
uemoto1
opened
3 months ago
2
bugfix for isolated systems of SOI
#1193
mn2007
closed
5 months ago
1
apply cublas to the Gram Schmidt part of SOI
#1192
mn2007
closed
4 months ago
2
rename subroutine
#1191
mn2007
closed
5 months ago
1
gpgpu implementation of the soi-gs part
#1190
mn2007
closed
5 months ago
1
Fix OpenACC error for NVIDIA HPC SDK version 23.11
#1189
take-kurita
closed
6 months ago
3
maxwell-sbe for multi-material
#1188
mn2007
closed
6 months ago
1
Preconditioning
#1187
mn2007
closed
6 months ago
1
implement the steepest descent method and the fire method
#1186
mn2007
closed
6 months ago
1
bugfix: multiscale with yn_out_rvf_rt
#1185
syamada0
closed
7 months ago
1
bugfix: reallocate energy%esp @ init_projection
#1184
syamada0
closed
7 months ago
1
Modify fdtd-eh
#1183
tt-ims
closed
7 months ago
1
fix for GNU compiler
#1182
syamada0
closed
8 months ago
1
removal of testsuite 113 on the GPU environment
#1181
mn2007
closed
9 months ago
1
subtle change
#1180
mn2007
closed
9 months ago
1
suppression of abnormal terminations on testsuite 501
#1179
mn2007
closed
9 months ago
1
add gpu testsuites
#1178
mn2007
closed
9 months ago
2
change of nscf in testsuite 184
#1177
mn2007
closed
9 months ago
1
use libxc version >= 5.0.0 in the GPU environment
#1176
mn2007
closed
9 months ago
1
bug fix for openacc
#1175
mn2007
closed
9 months ago
1
fix build error of nvhpc compiler
#1174
mn2007
closed
9 months ago
3
Jenkins tests in the GPU environment
#1173
mn2007
closed
9 months ago
18
BUGFIX: add file close at the end of program
#1172
uemoto1
closed
10 months ago
2
delete ppg%duv
#1171
syamada0
closed
10 months ago
1
Bugfix: projection_option with r-space parallelization
#1170
syamada0
closed
10 months ago
0
bugfix of plusU: allocation of ppg @ calc_uv_plusU
#1169
syamada0
closed
12 months ago
0
Minor bugfix in fdtd-eh
#1168
tt-ims
closed
1 year ago
0
method_init_density=read_dns_cube
#1167
syamada0
closed
1 year ago
0
microscopic magnetization: yn_out_mag_micro_rt
#1166
syamada0
closed
1 year ago
0
fix: yn_out_spin_current_micro
#1165
syamada0
closed
1 year ago
0
revision of input keywords & output files for spin-noncollinear systems
#1164
syamada0
closed
1 year ago
0
New output: spin current density (yn_out_spin_current)
#1163
syamada0
closed
1 year ago
0
Bug fix for isolated LR
#1162
tt-ims
closed
1 year ago
0
v.2.2.0: change version
#1161
syamada0
closed
1 year ago
0
Add sample of SBE calculation
#1160
uemoto1
closed
1 year ago
0
FFTW option for configure
#1159
syamada0
closed
1 year ago
0
bugfix: al_vec[123] for orthogonal cells
#1158
syamada0
closed
1 year ago
0
Add new input keywords to fdtd-eh
#1157
tt-ims
closed
1 year ago
0
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