| /dports/science/libecpint/libecpint-1.0.7/src/lib/ |
| H A D | api.cpp | 62 ecps.addECP(newU, 0); in set_ecp_basis()
91 assert(necps == ecps.getN()); in update_ecp_basis_coords()
126 for (int n = 0; n < ecps.getN(); n++) { in init()
127 ECP& U = ecps.getECP(n); in init()
184 for (int i = 0; i < ecps.getN(); i++) { in compute_integrals()
185 ECP& U = ecps.getECP(i); in compute_integrals()
204 ECP& U = ecps.getECP(i); in compute_integrals()
252 for (int i = 0; i < ecps.getN(); i++) { in compute_first_derivs()
253 ECP& U = ecps.getECP(i); in compute_first_derivs()
316 for (int i = 0; i < ecps.getN(); i++) { in compute_second_derivs()
[all …]
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| /dports/science/libecpint/libecpint-1.0.7/doc/sphinx/source/api/ |
| H A D | program_listing_file__Users_robertshaw_devfiles_libecpint_new_src_lib_api.cpp.rst | 72 ecps.addECP(newU, 0);
82 ecps.addECP_from_file(q, center, filename);
98 assert(necps = ecps.getN());
133 for (int n = 0; n < ecps.getN(); n++) {
134 ECP& U = ecps.getECP(n);
191 for (int i = 0; i < ecps.getN(); i++) {
192 ECP& U = ecps.getECP(i);
211 ECP& U = ecps.getECP(i);
259 for (int i = 0; i < ecps.getN(); i++) {
260 ECP& U = ecps.getECP(i);
[all …]
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| H A D | program_listing_file__Users_robertshaw_devfiles_libecpint_src_lib_api.cpp.rst | 74 ecps.addECP(newU, 0);
85 ecps.addECP_from_file(q, center, filename);
101 assert(necps == ecps.getN());
136 for (int n = 0; n < ecps.getN(); n++) {
137 ECP& U = ecps.getECP(n);
194 for (int i = 0; i < ecps.getN(); i++) {
195 ECP& U = ecps.getECP(i);
214 ECP& U = ecps.getECP(i);
262 for (int i = 0; i < ecps.getN(); i++) {
263 ECP& U = ecps.getECP(i);
[all …]
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| /dports/x11/hs-xmobar/xmobar-0.39/src/Xmobar/Plugins/Monitors/ |
| H A D | MultiCoreTemp.hs | 94 ecps <- filterM doesDirectoryExist cps
95 return $ if sc || null ecps then ecps else [head ecps]
|
| /dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/xtp-2a31d70/src/tests/ |
| H A D | test_aopotential.cc | 58 ECPBasisSet ecps; in BOOST_AUTO_TEST_CASE()
59 ecps.Load(std::string(XTP_TEST_DATA_FOLDER) + "/aopotential/ecp.xml"); in BOOST_AUTO_TEST_CASE()
61 ecpbasis.Fill(ecps, orbitals.QMAtoms()); in BOOST_AUTO_TEST_CASE()
283 ECPBasisSet ecps;
284 ecps.Load(std::string(XTP_TEST_DATA_FOLDER) + "/aopotential/ecp.xml");
286 ecpbasis.Fill(ecps, mol);
|
| /dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/src/tests/ |
| H A D | test_aopotential.cc | 58 ECPBasisSet ecps; in BOOST_AUTO_TEST_CASE() local
59 ecps.Load(std::string(XTP_TEST_DATA_FOLDER) + "/aopotential/ecp.xml"); in BOOST_AUTO_TEST_CASE()
61 ecpbasis.Fill(ecps, orbitals.QMAtoms()); in BOOST_AUTO_TEST_CASE()
283 ECPBasisSet ecps; in BOOST_AUTO_TEST_CASE() local
284 ecps.Load(std::string(XTP_TEST_DATA_FOLDER) + "/aopotential/ecp.xml"); in BOOST_AUTO_TEST_CASE()
286 ecpbasis.Fill(ecps, mol); in BOOST_AUTO_TEST_CASE()
|
| /dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/xtp-2a31d70/src/libxtp/ |
| H A D | qmpackage.cc | 69 ECPBasisSet ecps;
70 ecps.Load(orbitals.getECPName());
72 ecpbasis.Fill(ecps, orbitals.QMAtoms());
|
| /dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/src/libxtp/ |
| H A D | qmpackage.cc | 69 ECPBasisSet ecps; in ReorderOutput() local
70 ecps.Load(orbitals.getECPName()); in ReorderOutput()
72 ecpbasis.Fill(ecps, orbitals.QMAtoms()); in ReorderOutput()
|
| /dports/java/openjdk11/jdk11u-jdk-11.0.13-8-1/src/java.base/share/classes/java/nio/charset/ |
| H A D | Charset.java | 444 CharsetProvider[] ecps = ExtendedProviderHolder.extendedProviders;
445 for (CharsetProvider cp : ecps) {
577 CharsetProvider[] ecps = ExtendedProviderHolder.extendedProviders;
578 for (CharsetProvider ecp :ecps) {
|
| /dports/java/openjdk13/jdk13u-jdk-13.0.10-1-1/src/java.base/share/classes/java/nio/charset/ |
| H A D | Charset.java | 442 CharsetProvider[] ecps = ExtendedProviderHolder.extendedProviders;
443 for (CharsetProvider cp : ecps) {
575 CharsetProvider[] ecps = ExtendedProviderHolder.extendedProviders;
576 for (CharsetProvider ecp :ecps) {
|
| /dports/java/openjdk16/jdk16u-jdk-16.0.2-7-1/src/java.base/share/classes/java/nio/charset/ |
| H A D | Charset.java | 441 CharsetProvider[] ecps = ExtendedProviderHolder.extendedProviders;
442 for (CharsetProvider cp : ecps) {
574 CharsetProvider[] ecps = ExtendedProviderHolder.extendedProviders;
575 for (CharsetProvider ecp :ecps) {
|
| /dports/java/openjdk17/jdk17u-jdk-17.0.1-12-1/src/java.base/share/classes/java/nio/charset/ |
| H A D | Charset.java | 443 CharsetProvider[] ecps = ExtendedProviderHolder.extendedProviders;
444 for (CharsetProvider cp : ecps) {
577 CharsetProvider[] ecps = ExtendedProviderHolder.extendedProviders;
578 for (CharsetProvider ecp :ecps) {
|
| /dports/java/openjdk11-jre/jdk11u-jdk-11.0.13-8-1/src/java.base/share/classes/java/nio/charset/ |
| H A D | Charset.java | 444 CharsetProvider[] ecps = ExtendedProviderHolder.extendedProviders;
445 for (CharsetProvider cp : ecps) {
577 CharsetProvider[] ecps = ExtendedProviderHolder.extendedProviders;
578 for (CharsetProvider ecp :ecps) {
|
| /dports/java/openjdk12/openjdk-jdk12u-jdk-12.0.2-10-4/src/java.base/share/classes/java/nio/charset/ |
| H A D | Charset.java | 444 CharsetProvider[] ecps = ExtendedProviderHolder.extendedProviders;
445 for (CharsetProvider cp : ecps) {
577 CharsetProvider[] ecps = ExtendedProviderHolder.extendedProviders;
578 for (CharsetProvider ecp :ecps) {
|
| /dports/java/openjdk15/jdk15u-jdk-15.0.6-1-1/src/java.base/share/classes/java/nio/charset/ |
| H A D | Charset.java | 441 CharsetProvider[] ecps = ExtendedProviderHolder.extendedProviders;
442 for (CharsetProvider cp : ecps) {
574 CharsetProvider[] ecps = ExtendedProviderHolder.extendedProviders;
575 for (CharsetProvider ecp :ecps) {
|
| /dports/java/openjdk14/jdk14u-jdk-14.0.2-12-1/src/java.base/share/classes/java/nio/charset/ |
| H A D | Charset.java | 442 CharsetProvider[] ecps = ExtendedProviderHolder.extendedProviders;
443 for (CharsetProvider cp : ecps) {
575 CharsetProvider[] ecps = ExtendedProviderHolder.extendedProviders;
576 for (CharsetProvider ecp :ecps) {
|
| /dports/sysutils/u-boot-tools/u-boot-2020.07/arch/x86/include/asm/arch-apollolake/ |
| H A D | global_nvs.h | 29 u8 ecps; /* 0x2c - SGX Enabled status */ member
|
| /dports/science/py-ase/ase-3.22.0/ase/calculators/demon/ |
| H A D | demon.py | 50 ecps={}, argument
349 ecps = self.parameters['ecps']
350 if not len(ecps) == 0:
351 self._write_basis(fd, atoms, ecps, string='ECPS')
|
| /dports/sysutils/u-boot-olinuxino-lime/u-boot-2021.07/arch/x86/include/asm/ |
| H A D | intel_gnvs.h | 99 u8 ecps; /* 0x2c - SGX Enabled status */ member
|
| /dports/sysutils/u-boot-olinuxino-lime2-emmc/u-boot-2021.07/arch/x86/include/asm/ |
| H A D | intel_gnvs.h | 99 u8 ecps; /* 0x2c - SGX Enabled status */ member
|
| /dports/sysutils/u-boot-olinuxino-lime2/u-boot-2021.07/arch/x86/include/asm/ |
| H A D | intel_gnvs.h | 99 u8 ecps; /* 0x2c - SGX Enabled status */ member
|
| /dports/sysutils/u-boot-olimex-a20-som-evb/u-boot-2021.07/arch/x86/include/asm/ |
| H A D | intel_gnvs.h | 99 u8 ecps; /* 0x2c - SGX Enabled status */ member
|
| /dports/sysutils/u-boot-cubox-hummingboard/u-boot-2021.07/arch/x86/include/asm/ |
| H A D | intel_gnvs.h | 99 u8 ecps; /* 0x2c - SGX Enabled status */ member
|
| /dports/sysutils/u-boot-firefly-rk3399/u-boot-2021.07/arch/x86/include/asm/ |
| H A D | intel_gnvs.h | 99 u8 ecps; /* 0x2c - SGX Enabled status */ member
|
| /dports/sysutils/u-boot-a13-olinuxino/u-boot-2021.07/arch/x86/include/asm/ |
| H A D | intel_gnvs.h | 99 u8 ecps; /* 0x2c - SGX Enabled status */ member
|