DEHam/src
vijay gopal chilkuri 9a0c3935fa Added warning for when the number of extradiagonal terms exceeds the max value. 2020-03-17 10:44:50 +01:00
..
.gitignore now compiles but bug in the calculation of s2 2018-01-28 11:16:22 +01:00
adr.irp.f looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00
adrfull_old now compiles but bug in the calculation of s2 2018-01-28 11:16:22 +01:00
adrnew.irp.f looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00
analyse.irp.f looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00
combin.irp.f moved all files to src 2016-12-19 23:34:17 +01:00
conv.irp.f looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00
desort.irp.f looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00
deter.irp.f moved all files to src 2016-12-19 23:34:17 +01:00
elem_diag.irp.f Added some improvements to printing by adding mpiid. Printing is now done only by the master. 2020-03-16 14:00:26 +01:00
ex1.c Added some improvements to printing by adding mpiid. Printing is now done only by the master. 2020-03-16 14:00:26 +01:00
extra_diag.irp.f Added warning for when the number of extradiagonal terms exceeds the max value. 2020-03-17 10:44:50 +01:00
foundet.irp.f Added some improvements to printing by adding mpiid. Printing is now done only by the master. 2020-03-16 14:00:26 +01:00
gamma.irp.f moved all files to src 2016-12-19 23:34:17 +01:00
get_dmat.c looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00
get_dmat.h looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00
get_ntot.c many new features: 2018-01-29 16:21:56 +01:00
get_ntot.h many new features: 2018-01-29 16:21:56 +01:00
get_s2.c Added some improvements to printing by adding mpiid. Printing is now done only by the master. 2020-03-16 14:00:26 +01:00
get_s2.h looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00
get_s2_cyclic.c looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00
get_s2_mov.c looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00
get_val_iaa2.c now compiles but bug in the calculation of s2 2018-01-28 11:16:22 +01:00
get_val_iaa2.h now compiles but bug in the calculation of s2 2018-01-28 11:16:22 +01:00
getdet.irp.f Added some improvements to printing by adding mpiid. Printing is now done only by the master. 2020-03-16 14:00:26 +01:00
main.irp.f looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00
natom.irp.f Added some improvements to printing by adding mpiid. Printing is now done only by the master. 2020-03-16 14:00:26 +01:00
natomax.irp.f looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00
nnk.irp.f moved all files to src 2016-12-19 23:34:17 +01:00
nt1.irp.f Added some improvements to printing by adding mpiid. Printing is now done only by the master. 2020-03-16 14:00:26 +01:00
nt2.irp.f Added some improvements to printing by adding mpiid. Printing is now done only by the master. 2020-03-16 14:00:26 +01:00
prodcol.irp.f moved all files to src 2016-12-19 23:34:17 +01:00
prodval.irp.f moved all files to src 2016-12-19 23:34:17 +01:00
providdet.irp.f Added some improvements to printing by adding mpiid. Printing is now done only by the master. 2020-03-16 14:00:26 +01:00
provide_clust.irp.f many new features: 2018-01-29 16:21:56 +01:00
provide_mpiid.irp.f Added missing mpiid provider. 2020-03-16 14:26:14 +01:00
pstartend.irp.f moved all files to src 2016-12-19 23:34:17 +01:00
rank.irp.f moved all files to src 2016-12-19 23:34:17 +01:00
read2.c many new features: 2018-01-29 16:21:56 +01:00
read2.h many new features: 2018-01-29 16:21:56 +01:00
searchdet.irp.f looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00
searchdetfull.irp.f looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00
sort.irp.f looks like now it works for natom > 16 2018-01-29 00:10:47 +01:00
stimsyr.h Added some improvements to printing by adding mpiid. Printing is now done only by the master. 2020-03-16 14:00:26 +01:00
unit_FIL44.irp.f Added some improvements to printing by adding mpiid. Printing is now done only by the master. 2020-03-16 14:00:26 +01:00
unit_l1.irp.f Added some improvements to printing by adding mpiid. Printing is now done only by the master. 2020-03-16 14:00:26 +01:00
ylogic.irp.f moved all files to src 2016-12-19 23:34:17 +01:00