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Searched refs:maxval_container (Results 1 – 10 of 10) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dhfx_energy_potential.F223 TYPE(hfx_container_type), POINTER :: maxval_container, maxval_container_disk local
935 maxval_container => actual_x_data%maxval_container(bin)
937 … CALL hfx_init_container(maxval_container, memory_parameter%actual_memory_usage, .FALSE.)
948 maxval_container => actual_x_data%maxval_container(bin)
951 CALL hfx_decompress_first_cache(bits_max_val, maxval_cache, maxval_container, &
1029 maxval_container => actual_x_data%maxval_container(1)
1107 maxval_container => x_data(irep, my_thread_id)%maxval_container(my_bin_id)
1468 … maxval_cache, maxval_container, memory_parameter%actual_memory_usage, &
1586 … maxval_cache, maxval_container, memory_parameter%actual_memory_usage, &
2078 maxval_container => actual_x_data%maxval_container(bin)
[all …]
H A Dhfx_types.F376 POINTER :: maxval_container component
1954 DO bin = 1, SIZE(x_data%maxval_container)
1957 DEALLOCATE (x_data%maxval_container(bin)%first)
1959 DEALLOCATE (x_data%maxval_container)
2017 ALLOCATE (x_data%maxval_container(bin_size))
2019 ALLOCATE (x_data%maxval_container(bin)%first)
2020 x_data%maxval_container(bin)%first%prev => NULL()
2021 x_data%maxval_container(bin)%first%next => NULL()
2022 x_data%maxval_container(bin)%current => x_data%maxval_container(bin)%first
2023 x_data%maxval_container(bin)%current%data = 0
[all …]
H A Dhfx_derivatives.F192 TYPE(hfx_container_type), POINTER :: maxval_container local
747 maxval_container => actual_x_data%maxval_container_forces(bin)
749 … CALL hfx_init_container(maxval_container, memory_parameter%actual_memory_usage, .FALSE.)
760 maxval_container => actual_x_data%maxval_container_forces(bin)
763 CALL hfx_decompress_first_cache(bits_max_val, maxval_cache, maxval_container, &
844 maxval_container => actual_x_data%maxval_container_forces(1)
876 … maxval_container => qs_env%x_data(irep, my_thread_id)%maxval_container_forces(my_bin_id)
1340 maxval_cache, maxval_container, &
1624 maxval_container => actual_x_data%maxval_container_forces(bin)
1640 maxval_container => actual_x_data%maxval_container_forces(bin)
[all …]
H A Dmp2.F186 TYPE(hfx_container_type), POINTER :: maxval_container local
775 maxval_container => actual_x_data%maxval_container(bin)
777 …CALL hfx_init_container(maxval_container, actual_x_data%memory_parameter%actual_memory_usage, .FAL…
H A Dmp2_cphf.F168 TYPE(hfx_container_type), POINTER :: maxval_container local
358 maxval_container => actual_x_data%maxval_container(bin)
360 …CALL hfx_init_container(maxval_container, actual_x_data%memory_parameter%actual_memory_usage, .FAL…
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dhfx_energy_potential.F223 TYPE(hfx_container_type), POINTER :: maxval_container, maxval_container_disk local
935 maxval_container => actual_x_data%maxval_container(bin)
937 … CALL hfx_init_container(maxval_container, memory_parameter%actual_memory_usage, .FALSE.)
948 maxval_container => actual_x_data%maxval_container(bin)
951 CALL hfx_decompress_first_cache(bits_max_val, maxval_cache, maxval_container, &
1029 maxval_container => actual_x_data%maxval_container(1)
1107 maxval_container => x_data(irep, my_thread_id)%maxval_container(my_bin_id)
1468 … maxval_cache, maxval_container, memory_parameter%actual_memory_usage, &
1586 … maxval_cache, maxval_container, memory_parameter%actual_memory_usage, &
2078 maxval_container => actual_x_data%maxval_container(bin)
[all …]
H A Dhfx_derivatives.F195 TYPE(hfx_container_type), POINTER :: maxval_container local
753 maxval_container => actual_x_data%maxval_container_forces(bin)
755 … CALL hfx_init_container(maxval_container, memory_parameter%actual_memory_usage, .FALSE.)
766 maxval_container => actual_x_data%maxval_container_forces(bin)
769 CALL hfx_decompress_first_cache(bits_max_val, maxval_cache, maxval_container, &
850 maxval_container => actual_x_data%maxval_container_forces(1)
882 … maxval_container => qs_env%x_data(irep, my_thread_id)%maxval_container_forces(my_bin_id)
1351 maxval_cache, maxval_container, &
1638 maxval_container => actual_x_data%maxval_container_forces(bin)
1654 maxval_container => actual_x_data%maxval_container_forces(bin)
[all …]
H A Dhfx_types.F494 POINTER :: maxval_container component
2774 DO bin = 1, SIZE(x_data%maxval_container)
2777 DEALLOCATE (x_data%maxval_container(bin)%first)
2779 DEALLOCATE (x_data%maxval_container)
2837 ALLOCATE (x_data%maxval_container(bin_size))
2839 ALLOCATE (x_data%maxval_container(bin)%first)
2840 x_data%maxval_container(bin)%first%prev => NULL()
2841 x_data%maxval_container(bin)%first%next => NULL()
2842 x_data%maxval_container(bin)%current => x_data%maxval_container(bin)%first
2843 x_data%maxval_container(bin)%current%data = 0
[all …]
H A Dmp2.F182 TYPE(hfx_container_type), POINTER :: maxval_container local
774 maxval_container => actual_x_data%maxval_container(bin)
776 …CALL hfx_init_container(maxval_container, actual_x_data%memory_parameter%actual_memory_usage, .FAL…
H A Dmp2_cphf.F168 TYPE(hfx_container_type), POINTER :: maxval_container local
358 maxval_container => actual_x_data%maxval_container(bin)
360 …CALL hfx_init_container(maxval_container, actual_x_data%memory_parameter%actual_memory_usage, .FAL…