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field_spin_orbit
0ae28f3b
·
Change the argument to be the time step
·
Feb 16, 2022
add_ionic_velocity_to_total_current
4f7d24e0
·
Removed unused variable
·
Feb 03, 2022
subtract_com_velocity
745f81e5
·
Adds the option RemoveCOMVelocity to subtract the center of mass velocity of...
·
Jan 12, 2022
update_pspio
3eb9ab23
·
Change the way how pspio is handled: we now use it to replace the native...
·
Dec 09, 2021
multisystem_energies
151697fc
·
changed definitions of energy contributions
·
Dec 09, 2021
mpi2
0ea62640
·
Make MPI-2 mandatory.
·
Dec 04, 2021
526-implement-new-system-dependent-messsages-framework
8bb8d82e
·
updated copyright message
·
Nov 16, 2021
restart_particles_walltime
46084468
·
Add restart walltime period and Fix the restart file names
·
Nov 11, 2021
restart_particles_clock
8303a421
·
shorten subroutine names for rewrite and read clock information
·
Nov 11, 2021
matter_system
cb2926fa
·
Add a matter system that contains an electronic system and an ionic system.
·
Nov 11, 2021
port-ion-ion-interaction
9a1f8fcb
·
Add quantities to interaction, implement loop ranges for both cases (self- and...
·
Nov 10, 2021
519-extend-namespace
78cee2ff
·
Make the MPI and iunit variables public to satisfy the intent(in) requirement for namespace
·
Nov 10, 2021
system_dependent_propagators
4e8005e4
·
Reorganize code
·
Nov 09, 2021
518-pass-namespace-argument-in-multisystem
6afb1b97
·
Add namespace to a message function
·
Nov 09, 2021
517-class-for-multisystem-messages
7395361e
·
Merge branch 'constrained_noncollinear_dft' into 'develop'
·
Nov 05, 2021
519-extend-namespace-2
7395361e
·
Merge branch 'constrained_noncollinear_dft' into 'develop'
·
Nov 05, 2021
improve_vdwd3_test
2f1bc1a1
·
Reduce convergence criteria for the functionals/10-vdw_d3_dna test.
·
Nov 05, 2021
use_special_memory_for_copy
b3662214
·
Allocate special memory when copying a batch
·
Oct 25, 2021
valgrind-test
1cc364c9
·
changed lda_u/01-nio.test to long for test on valgrind
·
Oct 22, 2021
prepare_for_new_web_framework
15144294
·
Si eps added
·
Oct 18, 2021
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