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../
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ape.F90
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2.3 KB
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611
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22 months
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micael |
* Change the filename for the parser log.
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atom.F90
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33.5 KB
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720
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14 months
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micael |
* Rewrote the ode integration part to clearly separate the ode equations …
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atom_ae_inc.F90
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6.5 KB
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720
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14 months
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micael |
* Rewrote the ode integration part to clearly separate the ode equations …
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atom_ps_inc.F90
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32.7 KB
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720
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14 months
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micael |
* Rewrote the ode integration part to clearly separate the ode equations …
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eigensolver.F90
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12.3 KB
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720
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14 months
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micael |
* Rewrote the ode integration part to clearly separate the ode equations …
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finite_diff.F90
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8.3 KB
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577
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2 years
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micael |
* Added new variables to the manual.
* A bit of cleaning.
* More …
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functionals.F90
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23.3 KB
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714
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14 months
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micael |
* Made APE compatible with all the official releases of libxc.
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global.F90
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2.5 KB
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543
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3 years
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micael |
*) Added "_m" at the end of all the module names.
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global.h
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1019 bytes
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540
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3 years
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micael |
Setting more svn:keywords properties.
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gsl_interface_c.c
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10.0 KB
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540
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3 years
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micael |
Setting more svn:keywords properties.
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gsl_interface_f.F90
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11.3 KB
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543
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3 years
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micael |
*) Added "_m" at the end of all the module names.
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hamann.F90
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17.6 KB
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720
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14 months
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micael |
* Rewrote the ode integration part to clearly separate the ode equations …
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hartree.F90
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4.1 KB
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669
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17 months
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micael |
* The atomic states are now initialized from the input data directly to a …
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io.F90
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2.9 KB
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580
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2 years
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micael |
* Fixed couple of bugs in the tau approximations.
* Simplified the output …
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kb_projectors.F90
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13.8 KB
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692
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16 months
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micael |
* Removed unused variables.
* Fixed length of some strings.
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liboct_parser.F90
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8.8 KB
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543
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3 years
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micael |
*) Added "_m" at the end of all the module names.
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linalg.F90
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6.3 KB
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543
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3 years
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micael |
*) Added "_m" at the end of all the module names.
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loc_potentials.F90
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13.1 KB
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580
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2 years
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micael |
* Fixed couple of bugs in the tau approximations.
* Simplified the output …
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Makefile.am
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7.0 KB
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720
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14 months
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micael |
* Rewrote the ode integration part to clearly separate the ode equations …
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math.F90
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3.0 KB
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707
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14 months
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micael |
* Fixed circular dependencies in the modules by spliting the utilities …
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mesh.F90
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30.9 KB
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707
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14 months
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micael |
* Fixed circular dependencies in the modules by spliting the utilities …
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messages.F90
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10.4 KB
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713
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14 months
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tiago |
* The inward and outward integrations are now done in the same subroutine …
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mix.F90
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11.8 KB
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545
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3 years
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micael |
Cleaned the use of use.
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mrpp.F90
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11.5 KB
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720
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14 months
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micael |
* Rewrote the ode integration part to clearly separate the ode equations …
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mrpp_equations.F90
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12.8 KB
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720
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14 months
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micael |
* Rewrote the ode integration part to clearly separate the ode equations …
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multiroot_c.c
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3.3 KB
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540
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3 years
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micael |
Setting more svn:keywords properties.
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multiroot_f.F90
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6.4 KB
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582
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2 years
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micael |
* Added missing pop_sub's.
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numerical_tests.F90
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19.3 KB
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664
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17 months
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micael |
* Added functions to compute the (total) charge and magnetization …
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ode_integrator.F90
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29.9 KB
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723
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14 months
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micael |
* Small bug fix in the boundary conditions.
* Laplacian of the density is …
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odeint.c
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2.7 KB
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721
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14 months
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micael |
* More cleaning and simplification: now the ode_integrator object stores …
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output.F90
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3.6 KB
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596
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2 years
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micael |
* Removed unused variables.
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parser_symbols.F90
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13.1 KB
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720
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14 months
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micael |
* Rewrote the ode integration part to clearly separate the ode equations …
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potentials.F90
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35.6 KB
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677
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17 months
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micael |
* Several bug fixes.
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ps_io.F90
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39.8 KB
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708
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14 months
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micael |
* Fixed problem with the xc functional specification in the UPF …
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quantum_numbers.F90
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7.7 KB
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718
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14 months
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micael |
* States with abs(m) = l + 1/2 are now two-component spinors.
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run_ape.F90
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9.6 KB
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682
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17 months
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micael |
* Small bug fix in the determination of the practical infinity.
* XC …
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sl_potentials.F90
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13.4 KB
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678
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17 months
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micael |
* Moved the content of the ps_generation module to the atom_ps_create …
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splines.F90
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10.9 KB
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555
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3 years
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micael |
Moved the routines that compute the derivatives of a function on all the …
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states.F90
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53.3 KB
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723
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14 months
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micael |
* Small bug fix in the boundary conditions.
* Laplacian of the density is …
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states_batch.F90
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47.9 KB
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720
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14 months
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micael |
* Rewrote the ode integration part to clearly separate the ode equations …
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tm.F90
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13.1 KB
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720
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14 months
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micael |
* Rewrote the ode integration part to clearly separate the ode equations …
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tm_equations.F90
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9.6 KB
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705
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14 months
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micael |
* Changed the stopping criteria for the multiroot solver used by the TM …
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units.F90
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4.4 KB
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543
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3 years
|
micael |
*) Added "_m" at the end of all the module names.
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utilities_c.c
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2.7 KB
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540
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3 years
|
micael |
Setting more svn:keywords properties.
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utilities_f.F90
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4.9 KB
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707
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14 months
|
micael |
* Fixed circular dependencies in the modules by spliting the utilities …
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wave_equations.F90
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26.5 KB
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721
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14 months
|
micael |
* More cleaning and simplification: now the ode_integrator object stores …
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xc.F90
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33.1 KB
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687
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16 months
|
micael |
* It is not necessary any more to set the density and its derivatives to …
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